===========================================================
.___ __ __
_________________ __ __ __| _/|__|/ |_
/ ___\_` __ \__ \ | | \/ __ | | \\_ __\
/ /_/ > | \// __ \| | / /_/ | | || |
\___ /|__| (____ /____/\____ | |__||__|
/_____/ \/ \/
grep rough audit - static analysis tool
v2.8 written by @Wireghoul
=================================[justanotherhacker.com]===
nwchem-7.0.1/QA/doNightlyTests.mpi-13-export NWCHEM_TEST=${NWCHEM_TOP}/QA/tests
nwchem-7.0.1/QA/doNightlyTests.mpi:14:export NWCHEM_EXECUTABLE=`find "${NWCHEM_TOP}/bin" -perm -u-x -name "nwchem*"`
nwchem-7.0.1/QA/doNightlyTests.mpi-15-np=4
##############################################
nwchem-7.0.1/QA/doalltests.mpi-18-export NWCHEM_TEST=${NWCHEM_TOP}/QA/tests
nwchem-7.0.1/QA/doalltests.mpi:19:export NWCHEM_EXECUTABLE=`find "${NWCHEM_TOP}/bin" -perm -u-x -name "nwchem*"`
nwchem-7.0.1/QA/doalltests.mpi-20-nproc=4
##############################################
nwchem-7.0.1/QA/runtest.batch-169- set TESTDIR = $TEST
nwchem-7.0.1/QA/runtest.batch:170: set STUB = `basename $TEST`
nwchem-7.0.1/QA/runtest.batch-171- set BATCH_SCRIPT = ${CURDIR}/${BATCH}_${STUB}
##############################################
nwchem-7.0.1/QA/runtest.batch-183- if(! -d $TEST) then
nwchem-7.0.1/QA/runtest.batch:184: set TESTDIR = `echo $TEST | sed 's+/[^/]*$++'`
nwchem-7.0.1/QA/runtest.batch-185- endif
##############################################
nwchem-7.0.1/QA/runtest.batch-198- if (-e $TESTDIR/MPP) then
nwchem-7.0.1/QA/runtest.batch:199: set NPROC = `grep NPROC $TESTDIR/MPP | sed 's/NPROC//'`
nwchem-7.0.1/QA/runtest.batch-200- endif
##############################################
nwchem-7.0.1/QA/runtest.batch-291- set RDFINPUTFILE = $STUB.rdi
nwchem-7.0.1/QA/runtest.batch:292: set TOPOLOGYFILE = `echo $STUB.top | sed 's/_.*\././'`
nwchem-7.0.1/QA/runtest.batch-293- echo "# TESTFILE is $TESTFILE" >> $BATCH_SCRIPT
##############################################
nwchem-7.0.1/QA/runtest.batch-471- echo ' if (-e $FILE2UPDATE) then' >> $BATCH_SCRIPT
nwchem-7.0.1/QA/runtest.batch:472: echo ' @ num_update = `cat $FILE2UPDATE`' >> $BATCH_SCRIPT
nwchem-7.0.1/QA/runtest.batch-473- echo " @ num_update++" >> $BATCH_SCRIPT
##############################################
nwchem-7.0.1/QA/runtest.batch-498-else
nwchem-7.0.1/QA/runtest.batch:499: @ cur_job_count = `cat $CURDIR/BATCH_JOBS`
nwchem-7.0.1/QA/runtest.batch-500- @ cur_job_count += $run_count
##############################################
nwchem-7.0.1/QA/runtest.batch-509-endif
nwchem-7.0.1/QA/runtest.batch:510:@ jobs_total = `cat $CURDIR/BATCH_JOBS`
nwchem-7.0.1/QA/runtest.batch-511-echo " "
##############################################
nwchem-7.0.1/QA/runtest.unix-123- set TESTDIR = $TEST
nwchem-7.0.1/QA/runtest.unix:124: set STUB = `basename $TEST`
nwchem-7.0.1/QA/runtest.unix-125-#
##############################################
nwchem-7.0.1/QA/runtest.unix-128- if(! -d $TEST) then
nwchem-7.0.1/QA/runtest.unix:129: set TESTDIR = `echo $TEST | sed 's+/[^/]*$++'`
nwchem-7.0.1/QA/runtest.unix-130- endif
##############################################
nwchem-7.0.1/QA/runtest.unix-167- set MRINPUTFILE = $STUB.mri
nwchem-7.0.1/QA/runtest.unix:168: set TOPOLOGYFILE = (`echo $STUB.top | sed 's/_.*\././'`)
nwchem-7.0.1/QA/runtest.unix:169: set PDBFILE = (`echo $STUB.pdb | sed 's/_.*\././'`)
nwchem-7.0.1/QA/runtest.unix-170-#
##############################################
nwchem-7.0.1/QA/runtest.unix-360- echo -n " verifying charges ....... "
nwchem-7.0.1/QA/runtest.unix:361: set ttt = (`diff -w $STUB.ok.tst $ESPFILE | wc -l`)
nwchem-7.0.1/QA/runtest.unix-362- if($ttt == 0) then
##############################################
nwchem-7.0.1/QA/runtest.unix-383- echo -n " verifying topology ... "
nwchem-7.0.1/QA/runtest.unix:384: set ttt = (`diff -w $STUB.ok.tst $TOPOLOGYFILE | wc -l`)
nwchem-7.0.1/QA/runtest.unix-385- if($ttt == 4) then
##############################################
nwchem-7.0.1/QA/runtests.mpi.unix.docker-38-if [[ -z "${NWCHEM_TOP}" ]]; then
nwchem-7.0.1/QA/runtests.mpi.unix.docker:39: DIRQA=`dirname "$0"`
nwchem-7.0.1/QA/runtests.mpi.unix.docker-40- MYPWD=`pwd`
nwchem-7.0.1/QA/runtests.mpi.unix.docker:41: NWCHEM_TOP=`echo ${MYPWD}/${DIRQA} | sed -e 's/\/QA.*//' `
nwchem-7.0.1/QA/runtests.mpi.unix.docker-42-fi
##############################################
nwchem-7.0.1/QA/runtests.mpi.unix.docker-110- set TESTDIR = $CURDIR/$TEST
nwchem-7.0.1/QA/runtests.mpi.unix.docker:111: set STUB = `basename $TEST`
nwchem-7.0.1/QA/runtests.mpi.unix.docker-112-#
##############################################
nwchem-7.0.1/QA/runtests.mpi.unix.docker-115- if(! -d $TEST) then
nwchem-7.0.1/QA/runtests.mpi.unix.docker:116: set TESTDIR = `echo $TEST | sed 's+/[^/]*$++'`
nwchem-7.0.1/QA/runtests.mpi.unix.docker-117- endif
##############################################
nwchem-7.0.1/QA/runtests.mpi.unix.docker-156- set MRINPUTFILE = $STUB.mri
nwchem-7.0.1/QA/runtests.mpi.unix.docker:157: set TOPOLOGYFILE = (`echo $STUB.top | sed 's/_.*\././'`)
nwchem-7.0.1/QA/runtests.mpi.unix.docker:158: set PDBFILE = (`echo $STUB.pdb | sed 's/_.*\././'`)
nwchem-7.0.1/QA/runtests.mpi.unix.docker-159-#
##############################################
nwchem-7.0.1/QA/runtests.mpi.unix.docker-352-# echo "doing ls -l " $STUB.ok.q $STUB.q
nwchem-7.0.1/QA/runtests.mpi.unix.docker:353:# echo `ls -l $STUB.ok.q $STUB.q`
nwchem-7.0.1/QA/runtests.mpi.unix.docker-354- diff -w $STUB.ok.q $STUB.q >& /dev/null
##############################################
nwchem-7.0.1/QA/runtests.mpi.unix.docker-376- echo -n " verifying topology ... "
nwchem-7.0.1/QA/runtests.mpi.unix.docker:377: set ttt = (`diff -w $STUB.ok.tst $TOPOLOGYFILE | wc -l`)
nwchem-7.0.1/QA/runtests.mpi.unix.docker-378- if($ttt == 4) then
##############################################
nwchem-7.0.1/QA/runtests.tcg5.unix-109- set TESTDIR = $TEST
nwchem-7.0.1/QA/runtests.tcg5.unix:110: set STUB = `basename $TEST`
nwchem-7.0.1/QA/runtests.tcg5.unix-111-#
##############################################
nwchem-7.0.1/QA/runtests.tcg5.unix-114- if(! -d $TEST) then
nwchem-7.0.1/QA/runtests.tcg5.unix:115: set TESTDIR = `echo $TEST | sed 's+/[^/]*$++'`
nwchem-7.0.1/QA/runtests.tcg5.unix-116- endif
##############################################
nwchem-7.0.1/QA/runtests.tcg5.unix-153- set MRINPUTFILE = $STUB.mri
nwchem-7.0.1/QA/runtests.tcg5.unix:154: set TOPOLOGYFILE = (`echo $STUB.top | sed 's/_.*\././'`)
nwchem-7.0.1/QA/runtests.tcg5.unix:155: set PDBFILE = (`echo $STUB.pdb | sed 's/_.*\././'`)
nwchem-7.0.1/QA/runtests.tcg5.unix-156-#
##############################################
nwchem-7.0.1/QA/runtests.tcg5.unix-267-# echo "doing ls -l " $STUB.ok.q $STUB.q
nwchem-7.0.1/QA/runtests.tcg5.unix:268:# echo `ls -l $STUB.ok.q $STUB.q`
nwchem-7.0.1/QA/runtests.tcg5.unix-269- diff -w $STUB.ok.q $STUB.q >& /dev/null
##############################################
nwchem-7.0.1/QA/runtests.tcg5.unix-291- echo -n " verifying topology ... "
nwchem-7.0.1/QA/runtests.tcg5.unix:292: set ttt = (`diff -w $STUB.ok.tst $TOPOLOGYFILE | wc -l`)
nwchem-7.0.1/QA/runtests.tcg5.unix-293- if($ttt == 4) then
##############################################
nwchem-7.0.1/QA/runtests.unix-128- set TESTDIR = $TEST
nwchem-7.0.1/QA/runtests.unix:129: set STUB = `basename $TEST`
nwchem-7.0.1/QA/runtests.unix-130-#
##############################################
nwchem-7.0.1/QA/runtests.unix-133- if(! -d $TEST) then
nwchem-7.0.1/QA/runtests.unix:134: set TESTDIR = `echo $TEST | sed 's+/[^/]*$++'`
nwchem-7.0.1/QA/runtests.unix-135- endif
##############################################
nwchem-7.0.1/QA/runtests.unix-172- set MRINPUTFILE = $STUB.mri
nwchem-7.0.1/QA/runtests.unix:173: set TOPOLOGYFILE = (`echo $STUB.top | sed 's/_.*\././'`)
nwchem-7.0.1/QA/runtests.unix:174: set PDBFILE = (`echo $STUB.pdb | sed 's/_.*\././'`)
nwchem-7.0.1/QA/runtests.unix-175-#
##############################################
nwchem-7.0.1/QA/runtests.unix-350-# echo "doing ls -l " $STUB.ok.q $STUB.q
nwchem-7.0.1/QA/runtests.unix:351:# echo `ls -l $STUB.ok.q $STUB.q`
nwchem-7.0.1/QA/runtests.unix-352- diff -w $STUB.ok.q $STUB.q >& /dev/null
##############################################
nwchem-7.0.1/QA/runtests.unix-374- echo -n " verifying topology ... "
nwchem-7.0.1/QA/runtests.unix:375: set ttt = (`diff -w $STUB.ok.tst $TOPOLOGYFILE | wc -l`)
nwchem-7.0.1/QA/runtests.unix-376- if($ttt == 4) then
##############################################
nwchem-7.0.1/QA/runtests.mpi.unix-50-if [[ -z "${NWCHEM_TOP}" ]]; then
nwchem-7.0.1/QA/runtests.mpi.unix:51: DIRQA=`dirname "$0"`
nwchem-7.0.1/QA/runtests.mpi.unix-52- MYPWD=`pwd`
nwchem-7.0.1/QA/runtests.mpi.unix:53: NWCHEM_TOP=`echo ${MYPWD}/${DIRQA} | sed -e 's/\/QA.*//' `
nwchem-7.0.1/QA/runtests.mpi.unix-54-fi
##############################################
nwchem-7.0.1/QA/runtests.mpi.unix-179- TESTDIR=${TEST}
nwchem-7.0.1/QA/runtests.mpi.unix:180: STUB=`basename ${TEST}`
nwchem-7.0.1/QA/runtests.mpi.unix-181-#
##############################################
nwchem-7.0.1/QA/runtests.mpi.unix-184- if [ ! -d $TEST ]; then
nwchem-7.0.1/QA/runtests.mpi.unix:185: TESTDIR=`echo $TEST | sed 's+/[^/]*$++'`
nwchem-7.0.1/QA/runtests.mpi.unix-186- fi
##############################################
nwchem-7.0.1/QA/runtests.mpi.unix-226- MRINPUTFILE=${STUB}.mri
nwchem-7.0.1/QA/runtests.mpi.unix:227: TOPOLOGYFILE=`echo $STUB.top | sed 's/_.*\././'`
nwchem-7.0.1/QA/runtests.mpi.unix:228: PDBFILE=`echo $STUB.pdb | sed 's/_.*\././'`
nwchem-7.0.1/QA/runtests.mpi.unix-229-#
##############################################
nwchem-7.0.1/QA/runtests.mpi.unix-460-# echo "doing ls -l " ${STUB}.ok.q ${STUB}.q
nwchem-7.0.1/QA/runtests.mpi.unix:461: # echo `ls -l ${STUB}.ok.q ${STUB}.q`
nwchem-7.0.1/QA/runtests.mpi.unix-462- rm -f esp_temp.ok.q esp_temp.q
##############################################
nwchem-7.0.1/QA/runtests.mpi.unix-492- echo -n " verifying topology ... "
nwchem-7.0.1/QA/runtests.mpi.unix:493: ttt=`diff -w ${STUB}.ok.tst ${TOPOLOGYFILE} | wc -l`
nwchem-7.0.1/QA/runtests.mpi.unix-494- if [ $ttt -eq 4 ]; then
##############################################
nwchem-7.0.1/contrib/Fixinclude-19- echo " searching for files with ........................... $include_file"
nwchem-7.0.1/contrib/Fixinclude:20: set list = `find . -name "*.F" -exec grep -l $include_file "{}" ";" `
nwchem-7.0.1/contrib/Fixinclude-21- foreach file ($list)
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-226- if [ ${#wrapper} -eq 0 ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem:227: wrapper=`which ${candidate} 2> /dev/null`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-228- fi
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-249- if [ ${#wrapper} -eq 0 ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem:250: wrapper=`which ${candidate} 2> /dev/null`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-251- fi
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-272- if [ ${#wrapper} -eq 0 ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem:273: wrapper=`which ${candidate} 2> /dev/null`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-274- fi
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-295- echo " end">>/tmp/$$.f
nwchem-7.0.1/contrib/distro-tools/build_nwchem:296: inlist="`${NWCHEM_MPIF_WRAP} -craype-verbose /tmp/$$.f`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-297- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-306- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:307: inlist="`${NWCHEM_MPIF_WRAP} -show`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-308- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-313- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:314: inlist="`${NWCHEM_MPIF_WRAP} -showme`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-315- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-320- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:321: inlist="`${NWCHEM_MPIF_WRAP} -link-info`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-322- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-329- for word in ${inlist} ; do
nwchem-7.0.1/contrib/distro-tools/build_nwchem:330: len=`expr "${word}" : '-I*'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-331- if [ ${len} -ge 2 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-334- done
nwchem-7.0.1/contrib/distro-tools/build_nwchem:335:# len=`expr "${outlist}" : ' -I*'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-336-# if [ ${len} -ge 3 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-353- echo " end">>/tmp/$$.f
nwchem-7.0.1/contrib/distro-tools/build_nwchem:354: inlist="`${NWCHEM_MPIF_WRAP} -craype-verbose /tmp/$$.f`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-355- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-364- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:365: inlist="`${NWCHEM_MPIF_WRAP} -show`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-366- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-371- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:372: inlist="`${NWCHEM_MPIF_WRAP} -showme`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-373- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-378- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:379: inlist="`${NWCHEM_MPIF_WRAP} -link-info`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-380- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-387- for word in ${inlist} ; do
nwchem-7.0.1/contrib/distro-tools/build_nwchem:388: len=`expr "${word}" : '-L*'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-389- if [ ${len} -ge 2 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-392- done
nwchem-7.0.1/contrib/distro-tools/build_nwchem:393:# len=`expr "${outlist}" : ' -L*'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-394-# if [ ${len} -ge 3 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-411- echo " end">>/tmp/$$.f
nwchem-7.0.1/contrib/distro-tools/build_nwchem:412: inlist="`${NWCHEM_MPIF_WRAP} -craype-verbose /tmp/$$.f`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-413- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-422- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:423: inlist="`${NWCHEM_MPIF_WRAP} -show`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-424- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-429- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:430: inlist="`${NWCHEM_MPIF_WRAP} -showme`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-431- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-436- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:437: inlist="`${NWCHEM_MPIF_WRAP} -link-info`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-438- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-445- for word in ${inlist} ; do
nwchem-7.0.1/contrib/distro-tools/build_nwchem:446: len=`expr "${word}" : '-l*'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-447- if [ ${len} -ge 2 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-466- echo " end">>/tmp/$$.f
nwchem-7.0.1/contrib/distro-tools/build_nwchem:467: inlist="`${NWCHEM_MPIF_WRAP} -craype-verbose /tmp/$$.f`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-468- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-482- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:483: inlist="`${NWCHEM_MPIF_WRAP} -show`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-484- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-489- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:490: inlist="`${NWCHEM_MPIF_WRAP} -showme`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-491- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-496- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:497: inlist="`${NWCHEM_MPIF_WRAP} -compile-info`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-498- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-510- echo " end">>/tmp/$$.f
nwchem-7.0.1/contrib/distro-tools/build_nwchem:511: word=`basename ${word}`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-512- indx=0
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-546- echo "}">>/tmp/$$.c
nwchem-7.0.1/contrib/distro-tools/build_nwchem:547: inlist="`${NWCHEM_MPIC_WRAP} -craype-verbose /tmp/$$.c`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-548- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-562- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:563: inlist="`${NWCHEM_MPIC_WRAP} -show`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-564- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-569- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:570: inlist="`${NWCHEM_MPIC_WRAP} -showme`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-571- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-576- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:577: inlist="`${NWCHEM_MPIC_WRAP} -compile-info`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-578- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-591- echo "}">>/tmp/$$.c
nwchem-7.0.1/contrib/distro-tools/build_nwchem:592: word=`basename ${word}`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-593- indx=0
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-631- echo "}">>/tmp/$$.cpp
nwchem-7.0.1/contrib/distro-tools/build_nwchem:632: inlist="`${NWCHEM_MPICXX_WRAP} -craype-verbose /tmp/$$.cpp`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-633- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-647- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:648: inlist="`${NWCHEM_MPICXX_WRAP} -show`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-649- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-654- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:655: inlist="`${NWCHEM_MPICXX_WRAP} -showme`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-656- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-661- #
nwchem-7.0.1/contrib/distro-tools/build_nwchem:662: inlist="`${NWCHEM_MPICXX_WRAP} -compile-info`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-663- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-676- echo "}">>/tmp/$$.cpp
nwchem-7.0.1/contrib/distro-tools/build_nwchem:677: word=`basename ${word}`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-678- indx=0
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-705- key=$1
nwchem-7.0.1/contrib/distro-tools/build_nwchem:706: line=`grep $key ${NWCHEM_TOP}/src/tools/build/config.status`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-707- line=${line/*=/}
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-717- key=$1
nwchem-7.0.1/contrib/distro-tools/build_nwchem:718: result=`get_config_value $key`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-719- if [ ${#result} -gt 0 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-830- fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:831: result=`./testblas$$.x`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-832- status=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-835- else
nwchem-7.0.1/contrib/distro-tools/build_nwchem:836: out=`expr "${result}" : '.*\(4\)'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-837- if [ "${out}" == "4" ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-839- else
nwchem-7.0.1/contrib/distro-tools/build_nwchem:840: out=`expr "${result}" : '.*\(8\)'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-841- if [ "${out}" == "8" ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-946- $fcomp -o testlapack$$.x testlapack$$.f ${blaslapack} > /dev/null
nwchem-7.0.1/contrib/distro-tools/build_nwchem:947: result=`./testlapack$$.x`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-948- status=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1064- $fcomp -o testscalapack$$.x testscalapack$$.f ${blaslapacksca} > /dev/null
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1065: result=`./testscalapack$$.x`
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1066: out=`expr "${result}" : '.*\(4\)'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1067- if [ "${out}" != "4" ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1068: out=`expr "${result}" : '.*\(8\)'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1069- if [ "${out}" != "8" ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1100- if [ ${result} -eq 0 ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1101: output=`/tmp/$$.x`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1102- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1328- echo "print(\"%d.%d\"%(version[0],version[1]))" >> ./testpython$$.py
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1329: PYTHONVERSION=`${PYTHON_EXE} ./testpython$$.py`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1330- export PYTHONVERSION
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1340- echo "print(\"%s\"%sys.abiflags)" >> ./testpython$$.py
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1341: PYTHONABIFLAGS=`${PYTHON_EXE} ./testpython$$.py`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1342- status=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1356- echo "print(8 * struct.calcsize(\"P\"))" >> ./testpython$$.py
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1357: PYTHONBITS=`${PYTHON_EXE} ./testpython$$.py`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1358- if [ ${PYTHONBITS} -eq 64 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1372- if [ ${#PYTHONHOME} -eq 0 ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1373: TMP1=`dirname $PYTHON_EXE`
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1374: TMP2=`dirname $TMP1`
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1375: TMP1=(`find $TMP2 -name os.py -print`)
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1376: TMP2=`dirname ${TMP1[0]}`
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1377: TMP1=`dirname $TMP2`
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1378: export PYTHONHOME=`dirname $TMP1`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1379- fi
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1385- if [ ${#PYTHONLIBTYPE} -eq 0 ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1386: TMP1=`find ${PYTHONHOME} -name libpython${PYTHONVERSION}.a -print`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1387- if [ ${#TMP1} -ne 0 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1391- if [ ${#PYTHONLIBTYPE} -eq 0 ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1392: TMP1=`find ${PYTHONHOME} -name libpython${PYTHONVERSION}.so -print`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1393- if [ ${#TMP1} -ne 0 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1600- fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1601: output=`./mpi_threads$$.x`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1602- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1713- export NWCHEM_OS=IBM
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1714: elif [ `expr match ${NWCHEM_OS} CYGWIN` != "0" ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1715- export NWCHEM_OS=CYGWIN
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1739- #fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1740: elif [ `expr match ${NWCHEM_OS} CYGNUS` != "0" ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1741- export NWCHEM_OS=CYGNUS
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1756-if [ ${#NWCHEM_PTR_SIZE} -eq 0 ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1757: NWCHEM_PTR_SIZE=`get_pointer_size ${MPI_CC}`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1758- if [ $? -ne 0 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1809- # Only set MPI_LIB_TMP if MPI_LIB is non-empty
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1810: MPI_LIB_TMP=`echo "-L${MPI_LIB}" | sed 's/^-L-L/-L/'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1811- fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1812: BLAS_LIB=`get_blas_lib ${MPI_F90} "${BLASOPT}" "${MPI_LIB_TMP} ${LIBMPI}"`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1813- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1819- fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1820: LAPACK_LIB=`get_lapack_lib ${MPI_F90} "${BLASOPT}" "${BLASOPT}" "${MPI_LIB_TMP} ${LIBMPI}"`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1821- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1827- fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1828: SCALAPACK_LIB=`get_scalapack_lib ${MPI_F90} "${BLASOPT}" "${BLASOPT}" "${MPI_LIB_TMP} ${LIBMPI}"`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1829- result=$?
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1842- # Only set MPI_LIB_TMP if MPI_LIB is non-empty
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1843: MPI_LIB_TMP=`echo "-L${MPI_LIB}" | sed 's/^-L-L/-L/'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1844- fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1845: BLAS_LIB=`get_blas_lib ${MPI_F90} 0 "${MPI_LIB_TMP} ${LIBMPI}"`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1846- if [ ${#BLAS_LIB} -ne 0 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1857- # Only set MPI_LIB_TMP if MPI_LIB is non-empty
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1858: MPI_LIB_TMP=`echo "-L${MPI_LIB}" | sed 's/^-L-L/-L/'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1859- fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1860: BLAS_SIZE=`get_blas_integer ${MPI_F90} "${BLAS_LIB} ${MPI_LIB_TMP} ${LIBMPI}"`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1861- if [ $? -ne 0 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1869- # Only set MPI_LIB_TMP if MPI_LIB is non-empty
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1870: MPI_LIB_TMP=`echo "-L${MPI_LIB}" | sed 's/^-L-L/-L/'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1871- fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1872: LAPACK_LIB=`get_lapack_lib ${MPI_F90} "${BLAS_LIB}" 0 "${MPI_LIB_TMP} ${LIBMPI}"`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1873- if [ ${#LAPACK_LIB} -ne 0 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1884- # Only set MPI_LIB_TMP if MPI_LIB is non-empty
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1885: MPI_LIB_TMP=`echo "-L${MPI_LIB}" | sed 's/^-L-L/-L/'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1886- fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1887: LAPACK_SIZE=`get_lapack_integer ${MPI_F90} "${LAPACK_LIB} ${BLAS_LIB} ${MPI_LIB_TMP} ${LIBMPI}"`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1888- if [ $? -ne 0 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1896- # Only set MPI_LIB_TMP if MPI_LIB is non-empty
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1897: MPI_LIB_TMP=`echo "-L${MPI_LIB}" | sed 's/^-L-L/-L/'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1898- fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1899: SCALAPACK_LIB=`get_scalapack_lib ${MPI_F90} "${LAPACK_LIB} ${BLAS_LIB}" 0 "${MPI_LIB_TMP} ${LIBMPI}"`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1900- if [ ${#SCALAPACK_LIB} -ne 0 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1911- # Only set MPI_LIB_TMP if MPI_LIB is non-empty
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1912: MPI_LIB_TMP=`echo "-L${MPI_LIB}" | sed 's/^-L-L/-L/'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1913- fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1914: SCALAPACK_SIZE=`get_scalapack_integer ${MPI_F90} "${SCALAPACK_LIB} ${LAPACK_LIB} ${BLAS_LIB} ${MPI_LIB_TMP} ${LIBMPI}"`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1915- fi
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1921-if [ ${#NWCHEM_LONG_PATHS} -eq 0 ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1922: ISO_C=`fortran_has_iso_c_binding ${MPI_F90}`
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1923- if [ "x${ISO_C}" == "xY" ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1939- if [ ${#CUDA} -ne 0 ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1940: CUDA_PATH="`dirname ${CUDA}`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1941: CUDA_PATH="`dirname ${CUDA_PATH}`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1942- if [ ${#CUDA_INCLUDE} -eq 0 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1969- if [ ${#HIP} -ne 0 ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1970: HIP_PATH="`dirname ${HIP}`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem:1971: HIP_PATH="`dirname ${HIP_PATH}`"
nwchem-7.0.1/contrib/distro-tools/build_nwchem-1972- if [ ${#HIP_INCLUDE} -eq 0 ] ; then
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-2386-fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:2387:if [ "`basename ${MPI_F90}`" != "${MPI_F90}" ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem-2388- echo "ERROR: Fortran compiler has to be the basename: ${MPI_F90}" > /dev/stderr
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-2391-fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:2392:if [ "`basename ${MPI_CC}`" != "${MPI_CC}" ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem-2393- echo "ERROR: C compiler has to be the basename: ${MPI_CC}" > /dev/stderr
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem-2396-fi
nwchem-7.0.1/contrib/distro-tools/build_nwchem:2397:if [ "`basename ${MPI_CXX}`" != "${MPI_CXX}" ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem-2398- echo "ERROR: C++ compiler has to be the basename: ${MPI_CXX}" > /dev/stderr
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro-3-date=`date +%Y-%m-%d`
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro:4:revision=`svn info ${source} | grep Revision:`
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro:5:revision=`echo ${revision} | sed 's/Revision: //'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro-6-#
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro-11-#
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro:12:version=`grep RELEASE "$source/src/config/makefile.h" | grep -v \# | grep -v \(RELEASE\)`
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro:13:version=`echo $version dev | awk '{ print $3 }'`
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro-14-release=Nwchem-${version}
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro-52- export NWCHEM_TARGET=MACX64
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro:53: elif [ `expr match ${NWCHEM_OS} CYGWIN` != "0" ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro-54- export NWCHEM_TARGET=CYGWIN
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro:55: elif [ `expr match ${NWCHEM_OS} CYGNUS` != "0" ] ; then
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro-56- export NWCHEM_TARGET=CYGNUS
##############################################
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro-64-#
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro:65:export GA_VERSION=`${target}/src/tools/get-tools --ga-version`
nwchem-7.0.1/contrib/distro-tools/build_nwchem_src_distro-66-echo -n "Check for Global Arrays... "
##############################################
nwchem-7.0.1/contrib/doxygen/run_doxygen-73- # been specified including the path.
nwchem-7.0.1/contrib/doxygen/run_doxygen:74: path="`dirname \"$0\"`"
nwchem-7.0.1/contrib/doxygen/run_doxygen-75-else
##############################################
nwchem-7.0.1/contrib/doxygen/run_doxygen-77- # found in PATH.
nwchem-7.0.1/contrib/doxygen/run_doxygen:78: path="`which \"$0\"`"
nwchem-7.0.1/contrib/doxygen/run_doxygen:79: path="`dirname \"$path\"`"
nwchem-7.0.1/contrib/doxygen/run_doxygen-80-fi
##############################################
nwchem-7.0.1/contrib/doxygen/run_doxygen-141- echo "finding paths for include files..."
nwchem-7.0.1/contrib/doxygen/run_doxygen:142: includedirs=`find "${path}/../../src" -name "*.*h" -print `
nwchem-7.0.1/contrib/doxygen/run_doxygen-143- touch doxy$$.tmp
nwchem-7.0.1/contrib/doxygen/run_doxygen-144- for file in $includedirs ; do
nwchem-7.0.1/contrib/doxygen/run_doxygen:145: echo `dirname $file` >> doxya$$.tmp
nwchem-7.0.1/contrib/doxygen/run_doxygen-146- done
nwchem-7.0.1/contrib/doxygen/run_doxygen-147- grep -v "src/include" doxya$$.tmp | grep -v "install/include" | grep -v "tools/include" | sort -u > doxyb$$.tmp
nwchem-7.0.1/contrib/doxygen/run_doxygen:148: includedirs=`cat doxyb$$.tmp`
nwchem-7.0.1/contrib/doxygen/run_doxygen-149- echo "adding the include files paths:"
##############################################
nwchem-7.0.1/contrib/getmem.nwchem-27-if [[ -z "${NWCHEM_TOP}" ]]; then
nwchem-7.0.1/contrib/getmem.nwchem:28: DIRUTIL=`dirname "$0"`
nwchem-7.0.1/contrib/getmem.nwchem-29- MYPW=`pwd`
nwchem-7.0.1/contrib/getmem.nwchem:30: NWCHEM_TOP=`echo ${DIRUTIL} | sed -e 's/\/contrib.*//' `
nwchem-7.0.1/contrib/getmem.nwchem-31-fi
##############################################
nwchem-7.0.1/contrib/git.nwchem/dotar68_git.sh-23-tar --exclude=".git" -czvf nwchem-"${NWVER}".revision-"${REV68}"-src.`date +%Y-%m-%d`.tar.gz nwchem-6.8/*
nwchem-7.0.1/contrib/git.nwchem/dotar68_git.sh:24:md5sum nwchem-"${NWVER}".revision-"${REV68}"-src.`date +%Y-%m-%d`.tar.gz > nwchem-"${NWVER}".revision"${REV68}"-src.`date +%Y-%m-%d`.tar.gz.md5
nwchem-7.0.1/contrib/git.nwchem/dotar68_git.sh-25-tar --exclude=".git" -cjvf nwchem-"${NWVER}".revision-"${REV68}"-src.`date +%Y-%m-%d`.tar.bz2 nwchem-6.8/*
nwchem-7.0.1/contrib/git.nwchem/dotar68_git.sh:26:md5sum nwchem-"${NWVER}".revision-"${REV68}"-src.`date +%Y-%m-%d`.tar.bz2 > nwchem-"${NWVER}".revision"${REV68}"-src.`date +%Y-%m-%d`.tar.bz2.md5
nwchem-7.0.1/contrib/git.nwchem/dotar68_git.sh-27-tar --exclude=".git" -cjvf nwchem-"${NWVER}".revision-"${REV68}"-srconly.`date +%Y-%m-%d`.tar.bz2 nwchem-6.8/src/*
nwchem-7.0.1/contrib/git.nwchem/dotar68_git.sh:28:md5sum nwchem-"${NWVER}".revision-"${REV68}"-srconly.`date +%Y-%m-%d`.tar.bz2> nwchem-"${NWVER}".revision"${REV68}"-srconly.`date +%Y-%m-%d`.tar.bz2.md5
nwchem-7.0.1/contrib/git.nwchem/dotar68_git.sh-29-tar --exclude=".git" --exclude="src" -cjvf nwchem-"${NWVER}".revision-"${REV68}"-nonsrconly.`date +%Y-%m-%d`.tar.bz2 nwchem-6.8/*
nwchem-7.0.1/contrib/git.nwchem/dotar68_git.sh:30:md5sum nwchem-"${NWVER}".revision-"${REV68}"-nonsrconly.`date +%Y-%m-%d`.tar.bz2 > nwchem-"${NWVER}".revision"${REV68}"-nonsrconly.`date +%Y-%m-%d`.tar.bz2.md5
nwchem-7.0.1/contrib/git.nwchem/dotar68_git.sh-31-echo 'upload to http://192.101.105.206/'
##############################################
nwchem-7.0.1/contrib/git.nwchem/dotar_release.sh-43-tar --exclude=".git" -czf nwchem-"${NWVER}".revision-"${REVGIT}"-src.`date +%Y-%m-%d`.tar.gz $TOPDIR/*
nwchem-7.0.1/contrib/git.nwchem/dotar_release.sh:44:md5sum nwchem-"${NWVER}".revision-"${REVGIT}"-src.`date +%Y-%m-%d`.tar.gz > nwchem-"${NWVER}".revision"${REVGIT}"-src.`date +%Y-%m-%d`.tar.gz.md5
nwchem-7.0.1/contrib/git.nwchem/dotar_release.sh-45-tar --exclude=".git" -cjf nwchem-"${NWVER}".revision-"${REVGIT}"-src.`date +%Y-%m-%d`.tar.bz2 $TOPDIR/*
nwchem-7.0.1/contrib/git.nwchem/dotar_release.sh:46:md5sum nwchem-"${NWVER}".revision-"${REVGIT}"-src.`date +%Y-%m-%d`.tar.bz2 > nwchem-"${NWVER}".revision"${REVGIT}"-src.`date +%Y-%m-%d`.tar.bz2.md5
nwchem-7.0.1/contrib/git.nwchem/dotar_release.sh-47-tar --exclude=".git" -cjf nwchem-"${NWVER}".revision-"${REVGIT}"-srconly.`date +%Y-%m-%d`.tar.bz2 $TOPDIR/src/*
nwchem-7.0.1/contrib/git.nwchem/dotar_release.sh:48:md5sum nwchem-"${NWVER}".revision-"${REVGIT}"-srconly.`date +%Y-%m-%d`.tar.bz2> nwchem-"${NWVER}".revision"${REVGIT}"-srconly.`date +%Y-%m-%d`.tar.bz2.md5
nwchem-7.0.1/contrib/git.nwchem/dotar_release.sh-49-tar --exclude=".git" --exclude="src" -cjf nwchem-"${NWVER}".revision-"${REVGIT}"-nonsrconly.`date +%Y-%m-%d`.tar.bz2 $TOPDIR/*
nwchem-7.0.1/contrib/git.nwchem/dotar_release.sh:50:md5sum nwchem-"${NWVER}".revision-"${REVGIT}"-nonsrconly.`date +%Y-%m-%d`.tar.bz2 > nwchem-"${NWVER}".revision"${REVGIT}"-nonsrconly.`date +%Y-%m-%d`.tar.bz2.md5
nwchem-7.0.1/contrib/git.nwchem/dotar_release.sh-51-ls -lrt
##############################################
nwchem-7.0.1/contrib/ibm_sp@anl/interactive-52-set JID = `/usr/local/bin/getjid`
nwchem-7.0.1/contrib/ibm_sp@anl/interactive:53:set SPNODES = `cat /sphome/$ME/SPnodes.$JID`
nwchem-7.0.1/contrib/ibm_sp@anl/interactive-54-setenv MP_HOSTFILE /sphome/$ME/SPnodes.$JID
##############################################
nwchem-7.0.1/contrib/ibm_sp@anl/interactive-58-setenv MP_CSS_INTERRUPT yes
nwchem-7.0.1/contrib/ibm_sp@anl/interactive:59:set NUMNODES = `wc -l $MP_HOSTFILE`
nwchem-7.0.1/contrib/ibm_sp@anl/interactive-60-setenv MP_PROCS $NUMNODES[1]
##############################################
nwchem-7.0.1/contrib/ibm_sp@anl/runnwchem-27-else
nwchem-7.0.1/contrib/ibm_sp@anl/runnwchem:28: setenv OUTPUT `dirname $INPUT`/`basename $INPUT .nw`.out
nwchem-7.0.1/contrib/ibm_sp@anl/runnwchem-29-endif
##############################################
nwchem-7.0.1/contrib/ibm_sp@anl/runnwchem-63-set JID = `/usr/local/bin/getjid`
nwchem-7.0.1/contrib/ibm_sp@anl/runnwchem:64:set SPNODES = `cat /sphome/$ME/SPnodes.$JID`
nwchem-7.0.1/contrib/ibm_sp@anl/runnwchem-65-setenv MP_HOSTFILE /sphome/$ME/SPnodes.$JID
##############################################
nwchem-7.0.1/contrib/ibm_sp@anl/runnwchem-69-setenv MP_CSS_INTERRUPT yes
nwchem-7.0.1/contrib/ibm_sp@anl/runnwchem:70:set NUMNODES = `wc -l $MP_HOSTFILE`
nwchem-7.0.1/contrib/ibm_sp@anl/runnwchem-71-setenv MP_PROCS $NUMNODES[1]
##############################################
nwchem-7.0.1/contrib/ibm_sp@mhpcc/LLnwchem-25-# nodes = nodes assigned at runtime by loadleveler
nwchem-7.0.1/contrib/ibm_sp@mhpcc/LLnwchem:26:set nodes = `echo $LOADL_PROCESSOR_LIST`
nwchem-7.0.1/contrib/ibm_sp@mhpcc/LLnwchem-27-
##############################################
nwchem-7.0.1/contrib/ibm_sp@mhpcc/LLnwchem-30-
nwchem-7.0.1/contrib/ibm_sp@mhpcc/LLnwchem:31:# Execution steps
nwchem-7.0.1/contrib/ibm_sp@mhpcc/LLnwchem-32-cd ${ldir}
##############################################
nwchem-7.0.1/contrib/ibm_sp@mhpcc/poesubmit-32- printf JOBFILE "iam=`hostname`\n";
nwchem-7.0.1/contrib/ibm_sp@mhpcc/poesubmit:33: printf JOBFILE "master=`echo \$POE_PROCESSOR_LIST | awk '{print \$1}'`\n";
nwchem-7.0.1/contrib/ibm_sp@mhpcc/poesubmit-34- printf JOBFILE "if [ \$iam = \$master ]; then\n";
##############################################
nwchem-7.0.1/contrib/loadleveler/llnw-34-set noglob
nwchem-7.0.1/contrib/loadleveler/llnw:35:set FULLPATH = `pwd | sed -e "s,$PWDHOME,~,"`
nwchem-7.0.1/contrib/loadleveler/llnw-36-unset noglob
##############################################
nwchem-7.0.1/contrib/loadleveler/llnw-97- set noglob
nwchem-7.0.1/contrib/loadleveler/llnw:98: set OUTPUT = `dirname $INPUT`/`basename $INPUT .nw`.out
nwchem-7.0.1/contrib/loadleveler/llnw-99- unset noglob
##############################################
nwchem-7.0.1/contrib/loadleveler/llnw-103- set noglob
nwchem-7.0.1/contrib/loadleveler/llnw:104: set OUTPUT = `dirname $INPUT`/`basename $INPUT .nw`.$i.out
nwchem-7.0.1/contrib/loadleveler/llnw-105- unset noglob
##############################################
nwchem-7.0.1/contrib/loadleveler/llnw-208- set noglob
nwchem-7.0.1/contrib/loadleveler/llnw:209: set OUTPUT = `dirname $INPUT`/`basename $INPUT .nw`.out
nwchem-7.0.1/contrib/loadleveler/llnw-210- unset noglob
##############################################
nwchem-7.0.1/contrib/loadleveler/llnw-214- set noglob
nwchem-7.0.1/contrib/loadleveler/llnw:215: set OUTPUT = `dirname $INPUT`/`basename $INPUT .nw`.$i.out
nwchem-7.0.1/contrib/loadleveler/llnw-216- unset noglob
##############################################
nwchem-7.0.1/contrib/loadleveler/llnw-262-set noglob
nwchem-7.0.1/contrib/loadleveler/llnw:263:set LLERR = `dirname $OUTPUT`/`basename $OUTPUT .out`.err
nwchem-7.0.1/contrib/loadleveler/llnw:264:set LLJOB = `dirname $OUTPUT`/`basename $OUTPUT .out`.job
nwchem-7.0.1/contrib/loadleveler/llnw-265-unset noglob
##############################################
nwchem-7.0.1/contrib/loadleveler/llnw-296-# Remove ~ since poe will not expand it
nwchem-7.0.1/contrib/loadleveler/llnw:297:set THEINPUT = `echo $INPUT | sed -e "s,~,$PWDHOME,"`
nwchem-7.0.1/contrib/loadleveler/llnw-298-
##############################################
nwchem-7.0.1/contrib/marat/scripts/nw_gen_optimize.sh-1-#!/bin/csh -f
nwchem-7.0.1/contrib/marat/scripts/nw_gen_optimize.sh:2:set sname = `echo ${0}| awk '{print $(NF)}' FS="/"`
nwchem-7.0.1/contrib/marat/scripts/nw_gen_optimize.sh-3-# Check that there are some arguments present.
##############################################
nwchem-7.0.1/contrib/marat/scripts/nw_gen_optimize.sh-54-if(($?sim) == 0) then
nwchem-7.0.1/contrib/marat/scripts/nw_gen_optimize.sh:55: set sim = `echo $structure | cut -d "." -f1`
nwchem-7.0.1/contrib/marat/scripts/nw_gen_optimize.sh-56-endif
##############################################
nwchem-7.0.1/contrib/nqe/nqenw-61-set noglob
nwchem-7.0.1/contrib/nqe/nqenw:62:set FULLPATH = `pwd | sed -e "s,$PWDHOME,~,"`
nwchem-7.0.1/contrib/nqe/nqenw-63-unset noglob
##############################################
nwchem-7.0.1/contrib/nqe/nqenw-114- set noglob
nwchem-7.0.1/contrib/nqe/nqenw:115: set OUTPUT = `dirname $INPUT`/`basename $INPUT .nw`.out
nwchem-7.0.1/contrib/nqe/nqenw-116- unset noglob
##############################################
nwchem-7.0.1/contrib/nqe/nqenw-120- set noglob
nwchem-7.0.1/contrib/nqe/nqenw:121: set OUTPUT = `dirname $INPUT`/`basename $INPUT .nw`.$i.out
nwchem-7.0.1/contrib/nqe/nqenw-122- unset noglob
##############################################
nwchem-7.0.1/contrib/nqe/nqenw-197- set noglob
nwchem-7.0.1/contrib/nqe/nqenw:198: set OUTPUT = `dirname $INPUT`/`basename $INPUT .nw`.out
nwchem-7.0.1/contrib/nqe/nqenw-199- unset noglob
##############################################
nwchem-7.0.1/contrib/nqe/nqenw-203- set noglob
nwchem-7.0.1/contrib/nqe/nqenw:204: set OUTPUT = `dirname $INPUT`/`basename $INPUT .nw`.$i.out
nwchem-7.0.1/contrib/nqe/nqenw-205- unset noglob
##############################################
nwchem-7.0.1/contrib/nqe/nqenw-243-set noglob
nwchem-7.0.1/contrib/nqe/nqenw:244:set NQE_ERR = `dirname $OUTPUT`/`basename $OUTPUT .out`.err
nwchem-7.0.1/contrib/nqe/nqenw:245:set NQE_JOB = `dirname $OUTPUT`/`basename $OUTPUT .out`.job
nwchem-7.0.1/contrib/nqe/nqenw-246-unset noglob
##############################################
nwchem-7.0.1/contrib/nqe/nqenw-272-############################################################################
nwchem-7.0.1/contrib/nqe/nqenw:273:set REQUEST_NAME = `basename $NQE_JOB .job`
nwchem-7.0.1/contrib/nqe/nqenw-274-
##############################################
nwchem-7.0.1/contrib/nqe/nqenw-280-
nwchem-7.0.1/contrib/nqe/nqenw:281:set THEINPUT = `echo $INPUT | sed -e "s,~,$PWDHOME,"`
nwchem-7.0.1/contrib/nqe/nqenw:282:set THEOUTPUT = `echo $OUTPUT | sed -e "s,~,$PWDHOME,"`
nwchem-7.0.1/contrib/nqe/nqenw:283:set THEERR = `echo $NQE_ERR | sed -e "s,~,$PWDHOME,"`
nwchem-7.0.1/contrib/nqe/nqenw-284-
##############################################
nwchem-7.0.1/contrib/pbs/pbsnw-63-set noglob
nwchem-7.0.1/contrib/pbs/pbsnw:64:set FULLPATH = `pwd | sed -e "s,$PWDHOME,~,"`
nwchem-7.0.1/contrib/pbs/pbsnw-65-unset noglob
##############################################
nwchem-7.0.1/contrib/pbs/pbsnw-109- set noglob
nwchem-7.0.1/contrib/pbs/pbsnw:110: set OUTPUT = `dirname $INPUT`/`basename $INPUT .nw`.out
nwchem-7.0.1/contrib/pbs/pbsnw-111- unset noglob
##############################################
nwchem-7.0.1/contrib/pbs/pbsnw-115- set noglob
nwchem-7.0.1/contrib/pbs/pbsnw:116: set OUTPUT = `dirname $INPUT`/`basename $INPUT .nw`.$i.out
nwchem-7.0.1/contrib/pbs/pbsnw-117- unset noglob
##############################################
nwchem-7.0.1/contrib/pbs/pbsnw-185- set noglob
nwchem-7.0.1/contrib/pbs/pbsnw:186: set OUTPUT = `dirname $INPUT`/`basename $INPUT .nw`.out
nwchem-7.0.1/contrib/pbs/pbsnw-187- unset noglob
##############################################
nwchem-7.0.1/contrib/pbs/pbsnw-191- set noglob
nwchem-7.0.1/contrib/pbs/pbsnw:192: set OUTPUT = `dirname $INPUT`/`basename $INPUT .nw`.$i.out
nwchem-7.0.1/contrib/pbs/pbsnw-193- unset noglob
##############################################
nwchem-7.0.1/contrib/pbs/pbsnw-228-set noglob
nwchem-7.0.1/contrib/pbs/pbsnw:229:set PBS_ERR = `dirname $OUTPUT`/`basename $OUTPUT .out`.err
nwchem-7.0.1/contrib/pbs/pbsnw:230:set PBS_JOB = `dirname $OUTPUT`/`basename $OUTPUT .out`.job
nwchem-7.0.1/contrib/pbs/pbsnw:231:set PBS_LOG = `dirname $OUTPUT`/`basename $OUTPUT .out`.log
nwchem-7.0.1/contrib/pbs/pbsnw-232-unset noglob
##############################################
nwchem-7.0.1/contrib/pbs/pbsnw-258-############################################################################
nwchem-7.0.1/contrib/pbs/pbsnw:259:set REQUEST_NAME_FULL = `basename $PBS_JOB .job`
nwchem-7.0.1/contrib/pbs/pbsnw:260:set REQUEST_NAME = `echo $REQUEST_NAME_FULL | /bin/colrm 16`
nwchem-7.0.1/contrib/pbs/pbsnw-261-
##############################################
nwchem-7.0.1/contrib/pbs/pbsnw-264-#
nwchem-7.0.1/contrib/pbs/pbsnw:265:set THEINPUT = `echo $INPUT | sed -e "s,~,$PWDHOME,"`
nwchem-7.0.1/contrib/pbs/pbsnw:266:set THEOUTPUT = `echo $OUTPUT | sed -e "s,~,$PWDHOME,"`
nwchem-7.0.1/contrib/pbs/pbsnw:267:set THEERR = `echo $PBS_ERR | sed -e "s,~,$PWDHOME,"`
nwchem-7.0.1/contrib/pbs/pbsnw:268:set THELOG = `echo $PBS_LOG | sed -e "s,~,$PWDHOME,"`
nwchem-7.0.1/contrib/pbs/pbsnw-269-
##############################################
nwchem-7.0.1/contrib/pbs/pbsnw-304-if (-e \$PBS_NODEFILE) then
nwchem-7.0.1/contrib/pbs/pbsnw:305: set nodelist = (\`cat \$PBS_NODEFILE\`)
nwchem-7.0.1/contrib/pbs/pbsnw-306- touch nwchem.p;rm -f nwchem.p;touch nwchem.p
##############################################
nwchem-7.0.1/contrib/quasar/README.md-43-
nwchem-7.0.1/contrib/quasar/README.md:44:`$python3 export_chem_library_yaml.py < <nwchem_output_file> > <yaml_output>`
nwchem-7.0.1/contrib/quasar/README.md-45-
##############################################
nwchem-7.0.1/contrib/rasmolmovie/rasmolmovie-19- foreach file ($argv[*])
nwchem-7.0.1/contrib/rasmolmovie/rasmolmovie:20: set stub = `basename $file .xyz`
nwchem-7.0.1/contrib/rasmolmovie/rasmolmovie-21- set gif = /tmp/$$$stub$direction[$i].gif
##############################################
nwchem-7.0.1/contrib/rasmolmovie/rasmolmovie-32- end
nwchem-7.0.1/contrib/rasmolmovie/rasmolmovie:33: convert -delay 20 -loop 1000 `cat /tmp/$$` animation$direction[$i].gif
nwchem-7.0.1/contrib/rasmolmovie/rasmolmovie-34- echo " The animation for view $direction[$i] is in animation$direction[$i].gif"
nwchem-7.0.1/contrib/rasmolmovie/rasmolmovie:35: /bin/rm -f `cat /tmp/$$`
nwchem-7.0.1/contrib/rasmolmovie/rasmolmovie-36- /bin/rm -f /tmp/$$
##############################################
nwchem-7.0.1/contrib/validate/get_tests.bash-13-#
nwchem-7.0.1/contrib/validate/get_tests.bash:14:job_list=`grep -v 'QM: Running' $1 | grep Running`
nwchem-7.0.1/contrib/validate/get_tests.bash-15-for job in $job_list; do
nwchem-7.0.1/contrib/validate/get_tests.bash-16- if [ $job != "Running" ] ; then
nwchem-7.0.1/contrib/validate/get_tests.bash:17: testname=`basename $job`
nwchem-7.0.1/contrib/validate/get_tests.bash-18- echo $testname
##############################################
nwchem-7.0.1/contrib/validate/validate-19- # been specified including the path.
nwchem-7.0.1/contrib/validate/validate:20: path="`dirname \"$0\"`"
nwchem-7.0.1/contrib/validate/validate-21-else
##############################################
nwchem-7.0.1/contrib/validate/validate-23- # found in PATH.
nwchem-7.0.1/contrib/validate/validate:24: path="`which \"$0\"`"
nwchem-7.0.1/contrib/validate/validate:25: path="`dirname \"$path\"`"
nwchem-7.0.1/contrib/validate/validate-26-fi
##############################################
nwchem-7.0.1/contrib/validate/validate-37-export VAL_DIFF
nwchem-7.0.1/contrib/validate/validate:38:testlist=`$path/get_tests.bash $1`
nwchem-7.0.1/contrib/validate/validate-39-for tcase in $testlist; do
##############################################
nwchem-7.0.1/contrib/view_steps.pl-166- close(STEPFILE);
nwchem-7.0.1/contrib/view_steps.pl:167:# system("xmol -readFormat xyz $outname &");
nwchem-7.0.1/contrib/view_steps.pl-168-# print "xmol call disabled\n";
##############################################
nwchem-7.0.1/doc/make_manual.pl-85-
nwchem-7.0.1/doc/make_manual.pl:86: $contents=`cat $in_dir/node2.html`;
nwchem-7.0.1/doc/make_manual.pl:87: $cover =`cat $in_dir/$start_f`;
nwchem-7.0.1/doc/make_manual.pl-88-
##############################################
nwchem-7.0.1/doc/user/oniom.tex-165-you need to do is specify the atoms in the model system that are also
nwchem-7.0.1/doc/user/oniom.tex:166:in the real system (here $CHO$) and the broken bonds. Here is the
nwchem-7.0.1/doc/user/oniom.tex-167-geometry of acetaldehyde with the $CHO$ of aldehyde first
##############################################
nwchem-7.0.1/doc/user/pspw.tex-818-\end{verbatim}
nwchem-7.0.1/doc/user/pspw.tex:819:defines the local pseudopotential for the O\^\ MM atom , where $Z_{ion}=-0.8476$, $n_{\sigma}=4$, and $r_c=0.7$.
nwchem-7.0.1/doc/user/pspw.tex-820-The following input can be used to define the local pseudopotentials for all the MM atoms in the geometry
##############################################
nwchem-7.0.1/doc/write_frames.pl-135-# print "tmp is <: $tmp :> \n";
nwchem-7.0.1/doc/write_frames.pl:136: $result_cp = ` /bin/cp $file $tmp `;
nwchem-7.0.1/doc/write_frames.pl-137-# perl copy seems to be broke ??
nwchem-7.0.1/doc/write_frames.pl-138-# copy($file,$tmp);
nwchem-7.0.1/doc/write_frames.pl:139:# $result_ls = `ls -l $tmp `;
nwchem-7.0.1/doc/write_frames.pl-140-# print $result_ls;
##############################################
nwchem-7.0.1/src/GNUmakefile-140- @for file in *F; do \
nwchem-7.0.1/src/GNUmakefile:141: body=`basename $$file .F` ; \
nwchem-7.0.1/src/GNUmakefile-142- if [ -f $$body.f ] ; then \
##############################################
nwchem-7.0.1/src/NWints/api/int_mpole.F-17-C>
nwchem-7.0.1/src/NWints/api/int_mpole.F:18:C> For example, if `ish` = \f$p\f$ and \f$L\f$ = 1 and `jsh` = \f$p\f$ you
nwchem-7.0.1/src/NWints/api/int_mpole.F-19-C> would get
##############################################
nwchem-7.0.1/src/basis/convert/getfromFeller-7-set curdir = `pwd`
nwchem-7.0.1/src/basis/convert/getfromFeller:8:set curdirbase = `basename $curdir`
nwchem-7.0.1/src/basis/convert/getfromFeller-9-if ($curdirbase != 'convert') then
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-344- dnl or AC_LIB_HAVE_LINKFLAGS call.
nwchem-7.0.1/src/cca/aclocal.m4:345: uppername=`echo "$name" | sed -e 'y|abcdefghijklmnopqrstuvwxyz./-|ABCDEFGHIJKLMNOPQRSTUVWXYZ___|'`
nwchem-7.0.1/src/cca/aclocal.m4-346- eval value=\"\$HAVE_LIB$uppername\"
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-386- -L*)
nwchem-7.0.1/src/cca/aclocal.m4:387: dir=`echo "X$x" | sed -e 's/^X-L//'`
nwchem-7.0.1/src/cca/aclocal.m4-388- if test -n "$shlibext" && test -f "$dir/lib$name.$shlibext"; then
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-503- */lib | */lib/)
nwchem-7.0.1/src/cca/aclocal.m4:504: basedir=`echo "X$found_dir" | sed -e 's,^X,,' -e 's,/lib/*$,,'`
nwchem-7.0.1/src/cca/aclocal.m4-505- additional_includedir="$basedir/include"
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-556- -L*)
nwchem-7.0.1/src/cca/aclocal.m4:557: additional_libdir=`echo "X$dep" | sed -e 's/^X-L//'`
nwchem-7.0.1/src/cca/aclocal.m4-558- dnl Potentially add $additional_libdir to $LIBNAME and $LTLIBNAME.
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-606- -R*)
nwchem-7.0.1/src/cca/aclocal.m4:607: dir=`echo "X$dep" | sed -e 's/^X-R//'`
nwchem-7.0.1/src/cca/aclocal.m4-608- if test "$enable_rpath" != no; then
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-636- dnl Handle this in the next round.
nwchem-7.0.1/src/cca/aclocal.m4:637: names_next_round="$names_next_round "`echo "X$dep" | sed -e 's/^X-l//'`
nwchem-7.0.1/src/cca/aclocal.m4-638- ;;
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-642- dnl option.
nwchem-7.0.1/src/cca/aclocal.m4:643: names_next_round="$names_next_round "`echo "X$dep" | sed -e 's,^X.*/,,' -e 's,^lib,,' -e 's,\.la$,,'`
nwchem-7.0.1/src/cca/aclocal.m4-644- ;;
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-734-[# I'd rather use --version here, but apparently some GNU ld's only accept -v.
nwchem-7.0.1/src/cca/aclocal.m4:735:case `$LD -v 2>&1 </dev/null` in
nwchem-7.0.1/src/cca/aclocal.m4-736-*GNU* | *'with BFD'*)
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-770- # gcc leaves a trailing carriage return which upsets mingw
nwchem-7.0.1/src/cca/aclocal.m4:771: ac_prog=`($CC -print-prog-name=ld) 2>&5 | tr -d '\015'` ;;
nwchem-7.0.1/src/cca/aclocal.m4-772- *)
nwchem-7.0.1/src/cca/aclocal.m4:773: ac_prog=`($CC -print-prog-name=ld) 2>&5` ;;
nwchem-7.0.1/src/cca/aclocal.m4-774- esac
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-779- # Canonicalize the path of ld
nwchem-7.0.1/src/cca/aclocal.m4:780: ac_prog=`echo $ac_prog| sed 's%\\\\%/%g'`
nwchem-7.0.1/src/cca/aclocal.m4-781- while echo $ac_prog | grep "$re_direlt" > /dev/null 2>&1; do
nwchem-7.0.1/src/cca/aclocal.m4:782: ac_prog=`echo $ac_prog| sed "s%$re_direlt%/%"`
nwchem-7.0.1/src/cca/aclocal.m4-783- done
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-809- # Break only if it was the GNU/non-GNU ld that we prefer.
nwchem-7.0.1/src/cca/aclocal.m4:810: case `"$acl_cv_path_LD" -v 2>&1 < /dev/null` in
nwchem-7.0.1/src/cca/aclocal.m4-811- *GNU* | *'with BFD'*)
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-867- fi
nwchem-7.0.1/src/cca/aclocal.m4:868: CCAFE_INCLUDE=`$CCAFE_CONFIG --var CCAFE_pkgincludedir`
nwchem-7.0.1/src/cca/aclocal.m4:869: CCAFE_LIB=`$CCAFE_CONFIG --var CCAFE_pkglibdir`
nwchem-7.0.1/src/cca/aclocal.m4:870: CCAFE_SHARE=`$CCAFE_CONFIG --var CCAFE_pkgdatadir`
nwchem-7.0.1/src/cca/aclocal.m4:871: CCAFE_BIN=`$CCAFE_CONFIG --var CCAFE_bindir`
nwchem-7.0.1/src/cca/aclocal.m4-872- AC_SUBST(CCAFE_CONFIG)
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-878- # check for cca-spec-babel
nwchem-7.0.1/src/cca/aclocal.m4:879: CCA_SPEC_BABEL_CONFIG=`$CCAFE_CONFIG --var CCAFE_CCA_SPEC_BABEL_CONFIG`
nwchem-7.0.1/src/cca/aclocal.m4-880- if test -z $CCA_SPEC_BABEL_CONFIG || ! test -x $CCA_SPEC_BABEL_CONFIG; then
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-882- fi
nwchem-7.0.1/src/cca/aclocal.m4:883: CCA_SPEC_BABEL_INCLUDE=`$CCA_SPEC_BABEL_CONFIG --var CCASPEC_pkgincludedir`
nwchem-7.0.1/src/cca/aclocal.m4:884: CCA_SPEC_BABEL_LIB=`$CCA_SPEC_BABEL_CONFIG --var CCASPEC_pkglibdir`
nwchem-7.0.1/src/cca/aclocal.m4:885: CCA_SPEC_BABEL_SHARE=`$CCA_SPEC_BABEL_CONFIG --var CCASPEC_pkgdatadir`
nwchem-7.0.1/src/cca/aclocal.m4-886- AC_SUBST(CCA_SPEC_BABEL_CONFIG)
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-891- # check for cca-spec-classic
nwchem-7.0.1/src/cca/aclocal.m4:892: CCA_SPEC_CLASSIC_ROOT=`$CCAFE_CONFIG --var CCAFE_CLASSIC_CCA_ROOT`
nwchem-7.0.1/src/cca/aclocal.m4-893- CCA_SPEC_CLASSIC_CONFIG="$CCA_SPEC_CLASSIC_ROOT/bin/cca-spec-classic-config"
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-896- fi
nwchem-7.0.1/src/cca/aclocal.m4:897: CCA_SPEC_CLASSIC_INCLUDE=`$CCA_SPEC_CLASSIC_CONFIG --var CLASSIC_pkgincludedir`
nwchem-7.0.1/src/cca/aclocal.m4:898: CCA_SPEC_CLASSIC_LIB=`$CCA_SPEC_CLASSIC_CONFIG --var CLASSIC_pkglibdir`
nwchem-7.0.1/src/cca/aclocal.m4:899: CCA_SPEC_CLASSIC_SHARE=`$CCA_SPEC_CLASSIC_CONFIG --var CLASSIC_pkgdatadir`
nwchem-7.0.1/src/cca/aclocal.m4-900- AC_SUBST(CCA_SPEC_CLASSIC_CONFIG)
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-905- # check for babel
nwchem-7.0.1/src/cca/aclocal.m4:906: BABEL_CONFIG=`$CCA_SPEC_BABEL_CONFIG --var CCASPEC_BABEL_BABEL_CONFIG`
nwchem-7.0.1/src/cca/aclocal.m4-907- if test ! -x $BABEL_CONFIG; then
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-909- fi
nwchem-7.0.1/src/cca/aclocal.m4:910: BABEL_INCLUDE=`$BABEL_CONFIG --includedir`
nwchem-7.0.1/src/cca/aclocal.m4:911: BABEL_LIB=`$BABEL_CONFIG --libdir`
nwchem-7.0.1/src/cca/aclocal.m4:912: BABEL_SHARE=`$BABEL_CONFIG --datadir`
nwchem-7.0.1/src/cca/aclocal.m4:913: BABEL_BIN=`$BABEL_CONFIG --bindir`
nwchem-7.0.1/src/cca/aclocal.m4-914- AC_SUBST(BABEL_CONFIG)
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-920- # check for babel compilers
nwchem-7.0.1/src/cca/aclocal.m4:921: BABEL_CC=`$BABEL_CONFIG --query-var=CC`
nwchem-7.0.1/src/cca/aclocal.m4:922: BABEL_CFLAGS=`$BABEL_CONFIG --query-var=CFLAGS`
nwchem-7.0.1/src/cca/aclocal.m4:923: BABEL_CXX=`$BABEL_CONFIG --query-var=CXX`
nwchem-7.0.1/src/cca/aclocal.m4:924: BABEL_CXXFLAGS=`$BABEL_CONFIG --query-var=CXXFLAGS`
nwchem-7.0.1/src/cca/aclocal.m4-925- AC_SUBST(BABEL_CC)
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-930- # might as well use babel's libtool
nwchem-7.0.1/src/cca/aclocal.m4:931: BABEL_BIN=`$BABEL_CONFIG --bindir`
nwchem-7.0.1/src/cca/aclocal.m4-932- BABEL_LIBTOOL=$BABEL_BIN/babel-libtool
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-938- # check mpi configuration
nwchem-7.0.1/src/cca/aclocal.m4:939: CCAFE_MPI_INCLUDE=`$CCAFE_CONFIG --var CCAFE_MPI_INC`
nwchem-7.0.1/src/cca/aclocal.m4:940: CCAFE_MPI_LIB=`$CCAFE_CONFIG --var CCAFE_MPI_LIBDIR`
nwchem-7.0.1/src/cca/aclocal.m4:941: CCAFE_MPI_BIN=`$CCAFE_CONFIG --var CCAFE_MPI_BIN`
nwchem-7.0.1/src/cca/aclocal.m4-942- if test -z "$CCAFE_MPI_INCLUDE"; then
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-946- CCAFE_MPI_ENABLE="yes"
nwchem-7.0.1/src/cca/aclocal.m4:947: CCAFE_MPI_INCLUDE=`echo $CCAFE_MPI_INCLUDE | sed 's/^\-I//'`
nwchem-7.0.1/src/cca/aclocal.m4-948- fi
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-955- # check for babel python
nwchem-7.0.1/src/cca/aclocal.m4:956: BABEL_PYTHON_ENABLE=`$BABEL_CONFIG --query-var=SUPPORT_PYTHON`
nwchem-7.0.1/src/cca/aclocal.m4-957- if test $BABEL_PYTHON_ENABLE == "false"; then
##############################################
nwchem-7.0.1/src/cca/aclocal.m4-965- fi
nwchem-7.0.1/src/cca/aclocal.m4:966: BABEL_PYTHON=`$BABEL_CONFIG --query-var=WHICH_PYTHON`
nwchem-7.0.1/src/cca/aclocal.m4:967: BABEL_PYTHON_VERSION=`$BABEL_CONFIG --query-var=PYTHON_VERSION`
nwchem-7.0.1/src/cca/aclocal.m4:968: BABEL_PYTHON_LIB=`$BABEL_CONFIG --query-var=PYTHONLIB`/site-packages
nwchem-7.0.1/src/cca/aclocal.m4:969: BABEL_PYTHON_INCLUDE=`$BABEL_CONFIG --query-var=PYTHONINC`
nwchem-7.0.1/src/cca/aclocal.m4-970- AC_SUBST(BABEL_PYTHON)
##############################################
nwchem-7.0.1/src/cca/configure-43-do
nwchem-7.0.1/src/cca/configure:44: if (set +x; test -z "`(eval $as_var=C; export $as_var) 2>&1`"); then
nwchem-7.0.1/src/cca/configure-45- eval $as_var=C; export $as_var
##############################################
nwchem-7.0.1/src/cca/configure-101- as_lineno_2=$LINENO
nwchem-7.0.1/src/cca/configure:102: as_lineno_3=`(expr $as_lineno_1 + 1) 2>/dev/null`
nwchem-7.0.1/src/cca/configure-103- test "x$as_lineno_1" != "x$as_lineno_2" &&
##############################################
nwchem-7.0.1/src/cca/configure-140- as_lineno_2=$LINENO
nwchem-7.0.1/src/cca/configure:141: as_lineno_3=`(expr $as_lineno_1 + 1) 2>/dev/null`
nwchem-7.0.1/src/cca/configure-142- test "x$as_lineno_1" != "x$as_lineno_2" &&
##############################################
nwchem-7.0.1/src/cca/configure-325-
nwchem-7.0.1/src/cca/configure:326: ac_optarg=`expr "x$ac_option" : 'x[^=]*=\(.*\)'`
nwchem-7.0.1/src/cca/configure-327-
##############################################
nwchem-7.0.1/src/cca/configure-358- -disable-* | --disable-*)
nwchem-7.0.1/src/cca/configure:359: ac_feature=`expr "x$ac_option" : 'x-*disable-\(.*\)'`
nwchem-7.0.1/src/cca/configure-360- # Reject names that are not valid shell variable names.
##############################################
nwchem-7.0.1/src/cca/configure-363- { (exit 1); exit 1; }; }
nwchem-7.0.1/src/cca/configure:364: ac_feature=`echo $ac_feature | sed 's/-/_/g'`
nwchem-7.0.1/src/cca/configure-365- eval "enable_$ac_feature=no" ;;
##############################################
nwchem-7.0.1/src/cca/configure-367- -enable-* | --enable-*)
nwchem-7.0.1/src/cca/configure:368: ac_feature=`expr "x$ac_option" : 'x-*enable-\([^=]*\)'`
nwchem-7.0.1/src/cca/configure-369- # Reject names that are not valid shell variable names.
##############################################
nwchem-7.0.1/src/cca/configure-372- { (exit 1); exit 1; }; }
nwchem-7.0.1/src/cca/configure:373: ac_feature=`echo $ac_feature | sed 's/-/_/g'`
nwchem-7.0.1/src/cca/configure-374- case $ac_option in
nwchem-7.0.1/src/cca/configure:375: *=*) ac_optarg=`echo "$ac_optarg" | sed "s/'/'\\\\\\\\''/g"`;;
nwchem-7.0.1/src/cca/configure-376- *) ac_optarg=yes ;;
##############################################
nwchem-7.0.1/src/cca/configure-549- -with-* | --with-*)
nwchem-7.0.1/src/cca/configure:550: ac_package=`expr "x$ac_option" : 'x-*with-\([^=]*\)'`
nwchem-7.0.1/src/cca/configure-551- # Reject names that are not valid shell variable names.
##############################################
nwchem-7.0.1/src/cca/configure-554- { (exit 1); exit 1; }; }
nwchem-7.0.1/src/cca/configure:555: ac_package=`echo $ac_package| sed 's/-/_/g'`
nwchem-7.0.1/src/cca/configure-556- case $ac_option in
nwchem-7.0.1/src/cca/configure:557: *=*) ac_optarg=`echo "$ac_optarg" | sed "s/'/'\\\\\\\\''/g"`;;
nwchem-7.0.1/src/cca/configure-558- *) ac_optarg=yes ;;
##############################################
nwchem-7.0.1/src/cca/configure-562- -without-* | --without-*)
nwchem-7.0.1/src/cca/configure:563: ac_package=`expr "x$ac_option" : 'x-*without-\(.*\)'`
nwchem-7.0.1/src/cca/configure-564- # Reject names that are not valid shell variable names.
##############################################
nwchem-7.0.1/src/cca/configure-567- { (exit 1); exit 1; }; }
nwchem-7.0.1/src/cca/configure:568: ac_package=`echo $ac_package | sed 's/-/_/g'`
nwchem-7.0.1/src/cca/configure-569- eval "with_$ac_package=no" ;;
##############################################
nwchem-7.0.1/src/cca/configure-594- *=*)
nwchem-7.0.1/src/cca/configure:595: ac_envvar=`expr "x$ac_option" : 'x\([^=]*\)='`
nwchem-7.0.1/src/cca/configure-596- # Reject names that are not valid shell variable names.
##############################################
nwchem-7.0.1/src/cca/configure-599- { (exit 1); exit 1; }; }
nwchem-7.0.1/src/cca/configure:600: ac_optarg=`echo "$ac_optarg" | sed "s/'/'\\\\\\\\''/g"`
nwchem-7.0.1/src/cca/configure-601- eval "$ac_envvar='$ac_optarg'"
##############################################
nwchem-7.0.1/src/cca/configure-615-if test -n "$ac_prev"; then
nwchem-7.0.1/src/cca/configure:616: ac_option=--`echo $ac_prev | sed 's/_/-/g'`
nwchem-7.0.1/src/cca/configure-617- { echo "$as_me: error: missing argument to $ac_option" >&2
##############################################
nwchem-7.0.1/src/cca/configure-623-do
nwchem-7.0.1/src/cca/configure:624: eval ac_val=$`echo $ac_var`
nwchem-7.0.1/src/cca/configure-625- case $ac_val in
##############################################
nwchem-7.0.1/src/cca/configure-635-do
nwchem-7.0.1/src/cca/configure:636: eval ac_val=$`echo $ac_var`
nwchem-7.0.1/src/cca/configure-637- case $ac_val in
##############################################
nwchem-7.0.1/src/cca/configure-702- { (exit 1); exit 1; }; }
nwchem-7.0.1/src/cca/configure:703:srcdir=`echo "$srcdir" | sed 's%\([^\\/]\)[\\/]*$%\1%'`
nwchem-7.0.1/src/cca/configure-704-ac_env_build_alias_set=${build_alias+set}
##############################################
nwchem-7.0.1/src/cca/configure-753-By default, \`make install' will install all the files in
nwchem-7.0.1/src/cca/configure:754:\`$ac_default_prefix/bin', \`$ac_default_prefix/lib' etc. You can specify
nwchem-7.0.1/src/cca/configure:755:an installation prefix other than \`$ac_default_prefix' using \`--prefix',
nwchem-7.0.1/src/cca/configure-756-for instance \`--prefix=\$HOME'.
##############################################
nwchem-7.0.1/src/cca/configure-801-if test "$ac_dir" != .; then
nwchem-7.0.1/src/cca/configure:802: ac_dir_suffix=/`echo "$ac_dir" | sed 's,^\.[\\/],,'`
nwchem-7.0.1/src/cca/configure-803- # A "../" for each directory in $ac_dir_suffix.
nwchem-7.0.1/src/cca/configure:804: ac_top_builddir=`echo "$ac_dir_suffix" | sed 's,/[^\\/]*,../,g'`
nwchem-7.0.1/src/cca/configure-805-else
##############################################
nwchem-7.0.1/src/cca/configure-814- else
nwchem-7.0.1/src/cca/configure:815: ac_top_srcdir=`echo $ac_top_builddir | sed 's,/$,,'`
nwchem-7.0.1/src/cca/configure-816- fi ;;
##############################################
nwchem-7.0.1/src/cca/configure-968- *" "*|*" "*|*[\[\]\~\#\$\^\&\*\(\)\{\}\\\|\;\<\>\?\"\']*)
nwchem-7.0.1/src/cca/configure:969: ac_arg=`echo "$ac_arg" | sed "s/'/'\\\\\\\\''/g"` ;;
nwchem-7.0.1/src/cca/configure-970- esac
##############################################
nwchem-7.0.1/src/cca/configure-1040- do
nwchem-7.0.1/src/cca/configure:1041: eval ac_val=$`echo $ac_var`
nwchem-7.0.1/src/cca/configure-1042- echo "$ac_var='"'"'$ac_val'"'"'"
##############################################
nwchem-7.0.1/src/cca/configure-1054- do
nwchem-7.0.1/src/cca/configure:1055: eval ac_val=$`echo $ac_var`
nwchem-7.0.1/src/cca/configure-1056- echo "$ac_var='"'"'$ac_val'"'"'"
##############################################
nwchem-7.0.1/src/cca/configure-1145- set,)
nwchem-7.0.1/src/cca/configure:1146: { echo "$as_me:$LINENO: error: \`$ac_var' was set to \`$ac_old_val' in the previous run" >&5
nwchem-7.0.1/src/cca/configure:1147:echo "$as_me: error: \`$ac_var' was set to \`$ac_old_val' in the previous run" >&2;}
nwchem-7.0.1/src/cca/configure-1148- ac_cache_corrupted=: ;;
##############################################
nwchem-7.0.1/src/cca/configure-1168- *" "*|*" "*|*[\[\]\~\#\$\^\&\*\(\)\{\}\\\|\;\<\>\?\"\']*)
nwchem-7.0.1/src/cca/configure:1169: ac_arg=$ac_var=`echo "$ac_new_val" | sed "s/'/'\\\\\\\\''/g"` ;;
nwchem-7.0.1/src/cca/configure-1170- *) ac_arg=$ac_var=$ac_new_val ;;
##############################################
nwchem-7.0.1/src/cca/configure-1260-
nwchem-7.0.1/src/cca/configure:1261:CCA_CHEM_INCLUDE=`$CCA_CHEM_CONFIG --includedir`
nwchem-7.0.1/src/cca/configure:1262:CCA_CHEM_LIB=`$CCA_CHEM_CONFIG --libdir`
nwchem-7.0.1/src/cca/configure:1263:CCA_CHEM_PREFIX=`$CCA_CHEM_CONFIG --prefix`
nwchem-7.0.1/src/cca/configure-1264-CCA_CHEM_REPO=$CCA_CHEM_PREFIX/repo
##############################################
nwchem-7.0.1/src/cca/configure-1269-
nwchem-7.0.1/src/cca/configure:1270:CCAFE_CONFIG=`$CCA_CHEM_CONFIG --ccafe-config`
nwchem-7.0.1/src/cca/configure-1271-ENABLE_PYTHON="no" # no need for python checks
##############################################
nwchem-7.0.1/src/cca/configure-1332- fi
nwchem-7.0.1/src/cca/configure:1333: CCAFE_INCLUDE=`$CCAFE_CONFIG --var CCAFE_pkgincludedir`
nwchem-7.0.1/src/cca/configure:1334: CCAFE_LIB=`$CCAFE_CONFIG --var CCAFE_pkglibdir`
nwchem-7.0.1/src/cca/configure:1335: CCAFE_SHARE=`$CCAFE_CONFIG --var CCAFE_pkgdatadir`
nwchem-7.0.1/src/cca/configure:1336: CCAFE_BIN=`$CCAFE_CONFIG --var CCAFE_bindir`
nwchem-7.0.1/src/cca/configure-1337-
##############################################
nwchem-7.0.1/src/cca/configure-1343- # check for cca-spec-babel
nwchem-7.0.1/src/cca/configure:1344: CCA_SPEC_BABEL_CONFIG=`$CCAFE_CONFIG --var CCAFE_CCA_SPEC_BABEL_CONFIG`
nwchem-7.0.1/src/cca/configure-1345- if test -z $CCA_SPEC_BABEL_CONFIG || ! test -x $CCA_SPEC_BABEL_CONFIG; then
##############################################
nwchem-7.0.1/src/cca/configure-1349- fi
nwchem-7.0.1/src/cca/configure:1350: CCA_SPEC_BABEL_INCLUDE=`$CCA_SPEC_BABEL_CONFIG --var CCASPEC_pkgincludedir`
nwchem-7.0.1/src/cca/configure:1351: CCA_SPEC_BABEL_LIB=`$CCA_SPEC_BABEL_CONFIG --var CCASPEC_pkglibdir`
nwchem-7.0.1/src/cca/configure:1352: CCA_SPEC_BABEL_SHARE=`$CCA_SPEC_BABEL_CONFIG --var CCASPEC_pkgdatadir`
nwchem-7.0.1/src/cca/configure-1353-
##############################################
nwchem-7.0.1/src/cca/configure-1358- # check for cca-spec-classic
nwchem-7.0.1/src/cca/configure:1359: CCA_SPEC_CLASSIC_ROOT=`$CCAFE_CONFIG --var CCAFE_CLASSIC_CCA_ROOT`
nwchem-7.0.1/src/cca/configure-1360- CCA_SPEC_CLASSIC_CONFIG="$CCA_SPEC_CLASSIC_ROOT/bin/cca-spec-classic-config"
##############################################
nwchem-7.0.1/src/cca/configure-1365- fi
nwchem-7.0.1/src/cca/configure:1366: CCA_SPEC_CLASSIC_INCLUDE=`$CCA_SPEC_CLASSIC_CONFIG --var CLASSIC_pkgincludedir`
nwchem-7.0.1/src/cca/configure:1367: CCA_SPEC_CLASSIC_LIB=`$CCA_SPEC_CLASSIC_CONFIG --var CLASSIC_pkglibdir`
nwchem-7.0.1/src/cca/configure:1368: CCA_SPEC_CLASSIC_SHARE=`$CCA_SPEC_CLASSIC_CONFIG --var CLASSIC_pkgdatadir`
nwchem-7.0.1/src/cca/configure-1369-
##############################################
nwchem-7.0.1/src/cca/configure-1374- # check for babel
nwchem-7.0.1/src/cca/configure:1375: BABEL_CONFIG=`$CCA_SPEC_BABEL_CONFIG --var CCASPEC_BABEL_BABEL_CONFIG`
nwchem-7.0.1/src/cca/configure-1376- if test ! -x $BABEL_CONFIG; then
##############################################
nwchem-7.0.1/src/cca/configure-1380- fi
nwchem-7.0.1/src/cca/configure:1381: BABEL_INCLUDE=`$BABEL_CONFIG --includedir`
nwchem-7.0.1/src/cca/configure:1382: BABEL_LIB=`$BABEL_CONFIG --libdir`
nwchem-7.0.1/src/cca/configure:1383: BABEL_SHARE=`$BABEL_CONFIG --datadir`
nwchem-7.0.1/src/cca/configure:1384: BABEL_BIN=`$BABEL_CONFIG --bindir`
nwchem-7.0.1/src/cca/configure-1385-
##############################################
nwchem-7.0.1/src/cca/configure-1391- # check for babel compilers
nwchem-7.0.1/src/cca/configure:1392: BABEL_CC=`$BABEL_CONFIG --query-var=CC`
nwchem-7.0.1/src/cca/configure:1393: BABEL_CFLAGS=`$BABEL_CONFIG --query-var=CFLAGS`
nwchem-7.0.1/src/cca/configure:1394: BABEL_CXX=`$BABEL_CONFIG --query-var=CXX`
nwchem-7.0.1/src/cca/configure:1395: BABEL_CXXFLAGS=`$BABEL_CONFIG --query-var=CXXFLAGS`
nwchem-7.0.1/src/cca/configure-1396-
##############################################
nwchem-7.0.1/src/cca/configure-1401- # might as well use babel's libtool
nwchem-7.0.1/src/cca/configure:1402: BABEL_BIN=`$BABEL_CONFIG --bindir`
nwchem-7.0.1/src/cca/configure-1403- BABEL_LIBTOOL=$BABEL_BIN/babel-libtool
##############################################
nwchem-7.0.1/src/cca/configure-1411- # check mpi configuration
nwchem-7.0.1/src/cca/configure:1412: CCAFE_MPI_INCLUDE=`$CCAFE_CONFIG --var CCAFE_MPI_INC`
nwchem-7.0.1/src/cca/configure:1413: CCAFE_MPI_LIB=`$CCAFE_CONFIG --var CCAFE_MPI_LIBDIR`
nwchem-7.0.1/src/cca/configure:1414: CCAFE_MPI_BIN=`$CCAFE_CONFIG --var CCAFE_MPI_BIN`
nwchem-7.0.1/src/cca/configure-1415- if test -z "$CCAFE_MPI_INCLUDE"; then
##############################################
nwchem-7.0.1/src/cca/configure-1420- CCAFE_MPI_ENABLE="yes"
nwchem-7.0.1/src/cca/configure:1421: CCAFE_MPI_INCLUDE=`echo $CCAFE_MPI_INCLUDE | sed 's/^\-I//'`
nwchem-7.0.1/src/cca/configure-1422- fi
##############################################
nwchem-7.0.1/src/cca/configure-1429- # check for babel python
nwchem-7.0.1/src/cca/configure:1430: BABEL_PYTHON_ENABLE=`$BABEL_CONFIG --query-var=SUPPORT_PYTHON`
nwchem-7.0.1/src/cca/configure-1431- if test $BABEL_PYTHON_ENABLE == "false"; then
##############################################
nwchem-7.0.1/src/cca/configure-1443- fi
nwchem-7.0.1/src/cca/configure:1444: BABEL_PYTHON=`$BABEL_CONFIG --query-var=WHICH_PYTHON`
nwchem-7.0.1/src/cca/configure:1445: BABEL_PYTHON_VERSION=`$BABEL_CONFIG --query-var=PYTHON_VERSION`
nwchem-7.0.1/src/cca/configure:1446: BABEL_PYTHON_LIB=`$BABEL_CONFIG --query-var=PYTHONLIB`/site-packages
nwchem-7.0.1/src/cca/configure:1447: BABEL_PYTHON_INCLUDE=`$BABEL_CONFIG --query-var=PYTHONINC`
nwchem-7.0.1/src/cca/configure-1448-
##############################################
nwchem-7.0.1/src/cca/configure-1543-ac_LF_and_DOT=`echo; echo .`
nwchem-7.0.1/src/cca/configure:1544:DEFS=`sed -n -f confdef2opt.sed confdefs.h | tr "$ac_LF_and_DOT" ' .'`
nwchem-7.0.1/src/cca/configure-1545-rm -f confdef2opt.sed
##############################################
nwchem-7.0.1/src/cca/configure-1618-do
nwchem-7.0.1/src/cca/configure:1619: if (set +x; test -z "`(eval $as_var=C; export $as_var) 2>&1`"); then
nwchem-7.0.1/src/cca/configure-1620- eval $as_var=C; export $as_var
##############################################
nwchem-7.0.1/src/cca/configure-1676- as_lineno_2=$LINENO
nwchem-7.0.1/src/cca/configure:1677: as_lineno_3=`(expr $as_lineno_1 + 1) 2>/dev/null`
nwchem-7.0.1/src/cca/configure-1678- test "x$as_lineno_1" != "x$as_lineno_2" &&
##############################################
nwchem-7.0.1/src/cca/configure-1716- as_lineno_2=$LINENO
nwchem-7.0.1/src/cca/configure:1717: as_lineno_3=`(expr $as_lineno_1 + 1) 2>/dev/null`
nwchem-7.0.1/src/cca/configure-1718- test "x$as_lineno_1" != "x$as_lineno_2" &&
##############################################
nwchem-7.0.1/src/cca/configure-1890-configured by $0, generated by GNU Autoconf 2.59,
nwchem-7.0.1/src/cca/configure:1891: with options \\"`echo "$ac_configure_args" | sed 's/[\\""\`\$]/\\\\&/g'`\\"
nwchem-7.0.1/src/cca/configure-1892-
##############################################
nwchem-7.0.1/src/cca/configure-1906- --*=*)
nwchem-7.0.1/src/cca/configure:1907: ac_option=`expr "x$1" : 'x\([^=]*\)='`
nwchem-7.0.1/src/cca/configure:1908: ac_optarg=`expr "x$1" : 'x[^=]*=\(.*\)'`
nwchem-7.0.1/src/cca/configure-1909- ac_shift=:
##############################################
nwchem-7.0.1/src/cca/configure-2151- fi
nwchem-7.0.1/src/cca/configure:2152: ac_sed_frag=`expr $ac_sed_frag + 1`
nwchem-7.0.1/src/cca/configure-2153- ac_beg=$ac_end
nwchem-7.0.1/src/cca/configure:2154: ac_end=`expr $ac_end + $ac_max_sed_lines`
nwchem-7.0.1/src/cca/configure-2155- fi
##############################################
nwchem-7.0.1/src/cca/configure-2168- cat >$tmp/stdin
nwchem-7.0.1/src/cca/configure:2169: ac_file_in=`echo "$ac_file" | sed 's,[^:]*:,,'`
nwchem-7.0.1/src/cca/configure:2170: ac_file=`echo "$ac_file" | sed 's,:.*,,'` ;;
nwchem-7.0.1/src/cca/configure:2171: *:* ) ac_file_in=`echo "$ac_file" | sed 's,[^:]*:,,'`
nwchem-7.0.1/src/cca/configure:2172: ac_file=`echo "$ac_file" | sed 's,:.*,,'` ;;
nwchem-7.0.1/src/cca/configure-2173- * ) ac_file_in=$ac_file.in ;;
##############################################
nwchem-7.0.1/src/cca/configure-2216-if test "$ac_dir" != .; then
nwchem-7.0.1/src/cca/configure:2217: ac_dir_suffix=/`echo "$ac_dir" | sed 's,^\.[\\/],,'`
nwchem-7.0.1/src/cca/configure-2218- # A "../" for each directory in $ac_dir_suffix.
nwchem-7.0.1/src/cca/configure:2219: ac_top_builddir=`echo "$ac_dir_suffix" | sed 's,/[^\\/]*,../,g'`
nwchem-7.0.1/src/cca/configure-2220-else
##############################################
nwchem-7.0.1/src/cca/configure-2229- else
nwchem-7.0.1/src/cca/configure:2230: ac_top_srcdir=`echo $ac_top_builddir | sed 's,/$,,'`
nwchem-7.0.1/src/cca/configure-2231- fi ;;
##############################################
nwchem-7.0.1/src/cca/configure.in-52-
nwchem-7.0.1/src/cca/configure.in:53:CCA_CHEM_INCLUDE=`$CCA_CHEM_CONFIG --includedir`
nwchem-7.0.1/src/cca/configure.in:54:CCA_CHEM_LIB=`$CCA_CHEM_CONFIG --libdir`
nwchem-7.0.1/src/cca/configure.in:55:CCA_CHEM_PREFIX=`$CCA_CHEM_CONFIG --prefix`
nwchem-7.0.1/src/cca/configure.in-56-CCA_CHEM_REPO=$CCA_CHEM_PREFIX/repo
##############################################
nwchem-7.0.1/src/cca/configure.in-61-
nwchem-7.0.1/src/cca/configure.in:62:CCAFE_CONFIG=`$CCA_CHEM_CONFIG --ccafe-config`
nwchem-7.0.1/src/cca/configure.in-63-ENABLE_PYTHON="no" # no need for python checks
##############################################
nwchem-7.0.1/src/cca/install-sh-73-
nwchem-7.0.1/src/cca/install-sh:74: -t=*) transformarg=`echo $1 | sed 's/-t=//'`
nwchem-7.0.1/src/cca/install-sh-75- shift
##############################################
nwchem-7.0.1/src/cca/install-sh-77-
nwchem-7.0.1/src/cca/install-sh:78: -b=*) transformbasename=`echo $1 | sed 's/-b=//'`
nwchem-7.0.1/src/cca/install-sh-79- shift
##############################################
nwchem-7.0.1/src/cca/install-sh-138- then
nwchem-7.0.1/src/cca/install-sh:139: dst="$dst"/`basename $src`
nwchem-7.0.1/src/cca/install-sh-140- else
##############################################
nwchem-7.0.1/src/cca/install-sh-145-## this sed command emulates the dirname command
nwchem-7.0.1/src/cca/install-sh:146:dstdir=`echo $dst | sed -e 's,[^/]*$,,;s,/$,,;s,^$,.,'`
nwchem-7.0.1/src/cca/install-sh-147-
##############################################
nwchem-7.0.1/src/cca/install-sh-159-IFS='%'
nwchem-7.0.1/src/cca/install-sh:160:set - `echo ${dstdir} | sed -e 's@/@%@g' -e 's@^%@/@'`
nwchem-7.0.1/src/cca/install-sh-161-IFS="${oIFS}"
##############################################
nwchem-7.0.1/src/cca/install-sh-193- then
nwchem-7.0.1/src/cca/install-sh:194: dstfile=`basename $dst`
nwchem-7.0.1/src/cca/install-sh-195- else
##############################################
nwchem-7.0.1/src/cca/install-sh-203- then
nwchem-7.0.1/src/cca/install-sh:204: dstfile=`basename $dst`
nwchem-7.0.1/src/cca/install-sh-205- else
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-36- fi
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:37: CCAFE_INCLUDE=`$CCAFE_CONFIG --var CCAFE_pkgincludedir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:38: CCAFE_LIB=`$CCAFE_CONFIG --var CCAFE_pkglibdir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:39: CCAFE_SHARE=`$CCAFE_CONFIG --var CCAFE_pkgdatadir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:40: CCAFE_BIN=`$CCAFE_CONFIG --var CCAFE_bindir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-41- AC_SUBST(CCAFE_CONFIG)
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-47- # check for cca-spec-babel
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:48: CCA_SPEC_BABEL_CONFIG=`$CCAFE_CONFIG --var CCAFE_CCA_SPEC_BABEL_CONFIG`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-49- if test -z $CCA_SPEC_BABEL_CONFIG || ! test -x $CCA_SPEC_BABEL_CONFIG; then
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-51- fi
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:52: CCA_SPEC_BABEL_INCLUDE=`$CCA_SPEC_BABEL_CONFIG --var CCASPEC_pkgincludedir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:53: CCA_SPEC_BABEL_LIB=`$CCA_SPEC_BABEL_CONFIG --var CCASPEC_pkglibdir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:54: CCA_SPEC_BABEL_SHARE=`$CCA_SPEC_BABEL_CONFIG --var CCASPEC_pkgdatadir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-55- AC_SUBST(CCA_SPEC_BABEL_CONFIG)
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-60- # check for cca-spec-classic
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:61: CCA_SPEC_CLASSIC_ROOT=`$CCAFE_CONFIG --var CCAFE_CLASSIC_CCA_ROOT`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-62- CCA_SPEC_CLASSIC_CONFIG="$CCA_SPEC_CLASSIC_ROOT/bin/cca-spec-classic-config"
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-65- fi
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:66: CCA_SPEC_CLASSIC_INCLUDE=`$CCA_SPEC_CLASSIC_CONFIG --var CLASSIC_pkgincludedir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:67: CCA_SPEC_CLASSIC_LIB=`$CCA_SPEC_CLASSIC_CONFIG --var CLASSIC_pkglibdir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:68: CCA_SPEC_CLASSIC_SHARE=`$CCA_SPEC_CLASSIC_CONFIG --var CLASSIC_pkgdatadir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-69- AC_SUBST(CCA_SPEC_CLASSIC_CONFIG)
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-74- # check for babel
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:75: BABEL_CONFIG=`$CCA_SPEC_BABEL_CONFIG --var CCASPEC_BABEL_BABEL_CONFIG`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-76- if test ! -x $BABEL_CONFIG; then
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-78- fi
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:79: BABEL_INCLUDE=`$BABEL_CONFIG --includedir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:80: BABEL_LIB=`$BABEL_CONFIG --libdir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:81: BABEL_SHARE=`$BABEL_CONFIG --datadir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:82: BABEL_BIN=`$BABEL_CONFIG --bindir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-83- AC_SUBST(BABEL_CONFIG)
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-89- # check for babel compilers
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:90: BABEL_CC=`$BABEL_CONFIG --query-var=CC`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:91: BABEL_CFLAGS=`$BABEL_CONFIG --query-var=CFLAGS`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:92: BABEL_CXX=`$BABEL_CONFIG --query-var=CXX`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:93: BABEL_CXXFLAGS=`$BABEL_CONFIG --query-var=CXXFLAGS`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-94- AC_SUBST(BABEL_CC)
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-99- # might as well use babel's libtool
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:100: BABEL_BIN=`$BABEL_CONFIG --bindir`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-101- BABEL_LIBTOOL=$BABEL_BIN/babel-libtool
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-107- # check mpi configuration
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:108: CCAFE_MPI_INCLUDE=`$CCAFE_CONFIG --var CCAFE_MPI_INC`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:109: CCAFE_MPI_LIB=`$CCAFE_CONFIG --var CCAFE_MPI_LIBDIR`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:110: CCAFE_MPI_BIN=`$CCAFE_CONFIG --var CCAFE_MPI_BIN`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-111- if test -z "$CCAFE_MPI_INCLUDE"; then
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-115- CCAFE_MPI_ENABLE="yes"
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:116: CCAFE_MPI_INCLUDE=`echo $CCAFE_MPI_INCLUDE | sed 's/^\-I//'`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-117- fi
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-124- # check for babel python
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:125: BABEL_PYTHON_ENABLE=`$BABEL_CONFIG --query-var=SUPPORT_PYTHON`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-126- if test $BABEL_PYTHON_ENABLE == "false"; then
##############################################
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-134- fi
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:135: BABEL_PYTHON=`$BABEL_CONFIG --query-var=WHICH_PYTHON`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:136: BABEL_PYTHON_VERSION=`$BABEL_CONFIG --query-var=PYTHON_VERSION`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:137: BABEL_PYTHON_LIB=`$BABEL_CONFIG --query-var=PYTHONLIB`/site-packages
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4:138: BABEL_PYTHON_INCLUDE=`$BABEL_CONFIG --query-var=PYTHONINC`
nwchem-7.0.1/src/cca/lib/autoconf/cca.m4-139- AC_SUBST(BABEL_PYTHON)
##############################################
nwchem-7.0.1/src/config/32_to_64-8-if [[ -z "${NWCHEM_TOP}" ]]; then
nwchem-7.0.1/src/config/32_to_64:9: DIRUTIL=`dirname "$0"`
nwchem-7.0.1/src/config/32_to_64-10- MYPWD=`pwd`
nwchem-7.0.1/src/config/32_to_64:11: NWCHEM_TOP=`echo ${MYPWD}/${DIRUTIL} | sed -e 's/\/src.*//' `
nwchem-7.0.1/src/config/32_to_64-12-fi
##############################################
nwchem-7.0.1/src/config/64_to_32-8-if [[ -z "${NWCHEM_TOP}" ]]; then
nwchem-7.0.1/src/config/64_to_32:9: DIRUTIL=`dirname "$0"`
nwchem-7.0.1/src/config/64_to_32-10- MYPWD=`pwd`
nwchem-7.0.1/src/config/64_to_32:11: NWCHEM_TOP=`echo ${MYPWD}/${DIRUTIL} | sed -e 's/\/src.*//' `
nwchem-7.0.1/src/config/64_to_32-12-fi
##############################################
nwchem-7.0.1/src/config/lockfile-65- else
nwchem-7.0.1/src/config/lockfile:66: nspin=`expr $nspin + 1`
nwchem-7.0.1/src/config/lockfile-67- echo lockfile: waiting for $file
##############################################
nwchem-7.0.1/src/config/lockfile-72- echo $$ " " > $file
nwchem-7.0.1/src/config/lockfile:73: id="`cat $file`"
nwchem-7.0.1/src/config/lockfile-74-
##############################################
nwchem-7.0.1/src/config/makelib.h-170-ifdef USE_SHARED
nwchem-7.0.1/src/config/makelib.h:171: @( list=`for file in $(OBJECTS) .notthere; do if [ -f $$file ] ; then echo $$file; fi ; done`; \
nwchem-7.0.1/src/config/makelib.h-172- if [ "$$list" ] ; then \
##############################################
nwchem-7.0.1/src/config/makelib.h-179-ifdef SUMO
nwchem-7.0.1/src/config/makelib.h:180: @( list=`for file in $(OBJECTS) .notthere; do if [ -f $$file ] ; then echo $$file; fi ; done`; \
nwchem-7.0.1/src/config/makelib.h-181- if [ "$$list" ] ; then \
##############################################
nwchem-7.0.1/src/config/makelib.h-187-endif
nwchem-7.0.1/src/config/makelib.h:188: @( list=`for file in $(OBJECTS) .notthere; do if [ -f $$file ] ; then echo $$file; fi ; done`; \
nwchem-7.0.1/src/config/makelib.h-189- if [ "$$list" ] ; then \
##############################################
nwchem-7.0.1/src/config/makelib.h-302- echo $(OBJ) $(OBJ_OPTIMIZE)| xargs -n 300 $(AR) d $(LIBRARY_PATH) ; \
nwchem-7.0.1/src/config/makelib.h:303: if [ `$(AR) t $(LIBRARY_PATH) | wc | awk ' {print $$1;}'` -eq 0 ] ; then \
nwchem-7.0.1/src/config/makelib.h-304- $(RM) -f $(LIBRARY_PATH) ; \
##############################################
nwchem-7.0.1/src/config/makelib.h-326- @for file in *F; do \
nwchem-7.0.1/src/config/makelib.h:327: body=`basename $$file .F` ; \
nwchem-7.0.1/src/config/makelib.h-328- if [ -f $$body.f ] ; then \
##############################################
nwchem-7.0.1/src/config/makelib.h-353- @for file in nonexistent $(OBJ) $(OBJ_OPTIMIZE); do \
nwchem-7.0.1/src/config/makelib.h:354: body=`basename $$file .o` ; \
nwchem-7.0.1/src/config/makelib.h-355- if [ -f $$body.f ] ; then \
##############################################
nwchem-7.0.1/src/config/simpledepend-18-
nwchem-7.0.1/src/config/simpledepend:19: set a = (`grep -l $file *.F | sed -e 's/\.F/\.o/'`)
nwchem-7.0.1/src/config/simpledepend-20-
##############################################
nwchem-7.0.1/src/libext/mpich/build_mpich.sh-8-cd mpich
nwchem-7.0.1/src/libext/mpich/build_mpich.sh:9:GNUMAJOR=`$FC -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-`
nwchem-7.0.1/src/libext/mpich/build_mpich.sh-10-if [[ $GNUMAJOR -ge 10 ]]; then
##############################################
nwchem-7.0.1/src/lucia/daname_main.F-50- Call SetLuMark(Lu)
nwchem-7.0.1/src/lucia/daname_main.F:51: Addr(Lu) = 0
nwchem-7.0.1/src/lucia/daname_main.F:52: MxAddr(Lu) = 0
nwchem-7.0.1/src/lucia/daname_main.F-53- MPUnit(0,Lu)=Lu
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-520- IBTP = IBLOCKL(2,IL)
nwchem-7.0.1/src/lucia/densi2_ab.F:521: IASM = IBLOCKL(3,IL)
nwchem-7.0.1/src/lucia/densi2_ab.F-522- IBSM = IBLOCKL(4,IL)
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-524- IF(NTEST.GE.200)
nwchem-7.0.1/src/lucia/densi2_ab.F:525: & WRITE(6,*) 'IATP IBTP IASM IBSM',IATP,IBTP,IASM,IBSM
nwchem-7.0.1/src/lucia/densi2_ab.F-526- ISCALE = 1
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-543- JBTP = IBLOCKR(2,IR)
nwchem-7.0.1/src/lucia/densi2_ab.F:544: JASM = IBLOCKR(3,IR)
nwchem-7.0.1/src/lucia/densi2_ab.F-545- JBSM = IBLOCKR(4,IR)
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-547- IF(NTEST.GE.200)
nwchem-7.0.1/src/lucia/densi2_ab.F:548: & WRITE(6,*) ' JATP JBTP JASM JBSM ',JATP,JBTP,JASM,JBSM
nwchem-7.0.1/src/lucia/densi2_ab.F-549-*. Read R blocks into core
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-556- IBTP = IBLOCKL(2,IL)
nwchem-7.0.1/src/lucia/densi2_ab.F:557: IASM = IBLOCKL(3,IL)
nwchem-7.0.1/src/lucia/densi2_ab.F-558- IBSM = IBLOCKL(4,IL)
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-562- DO IPERM = 1, NPERM
nwchem-7.0.1/src/lucia/densi2_ab.F:563: IIASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/densi2_ab.F-564- IIBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-610- IBTP = IBLOCKL(2,IL)
nwchem-7.0.1/src/lucia/densi2_ab.F:611: IASM = IBLOCKL(3,IL)
nwchem-7.0.1/src/lucia/densi2_ab.F-612- IBSM = IBLOCKL(4,IL)
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-621-C write(6,*) ' Loop 9999 ILPERM = ', ILPERM
nwchem-7.0.1/src/lucia/densi2_ab.F:622: IIASM = LASM(ILPERM)
nwchem-7.0.1/src/lucia/densi2_ab.F-623- IIBSM = LBSM(ILPERM)
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-642- JBTP = IBLOCKR(2,IR)
nwchem-7.0.1/src/lucia/densi2_ab.F:643: JASM = IBLOCKR(3,IR)
nwchem-7.0.1/src/lucia/densi2_ab.F-644- JBSM = IBLOCKR(4,IR)
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-681- WRITE(6,'(A,5I5)')
nwchem-7.0.1/src/lucia/densi2_ab.F:682: & ' IIASM IIBSM IIATP IIBTP',
nwchem-7.0.1/src/lucia/densi2_ab.F-683- & IIASM,IIBSM,IIATP,IIBTP
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-685- WRITE(6,'(A,5I5)')
nwchem-7.0.1/src/lucia/densi2_ab.F:686: & ' JASM JBSM JATP JBTP',
nwchem-7.0.1/src/lucia/densi2_ab.F-687- & JASM,JBSM,JATP,JBTP
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-750-*
nwchem-7.0.1/src/lucia/densi2_ab.F:751:* Contributions to density matrix from sigma block (iasm iatp, ibsm ibtp ) and
nwchem-7.0.1/src/lucia/densi2_ab.F:752:* C block (jasm jatp , jbsm, jbtp)
nwchem-7.0.1/src/lucia/densi2_ab.F-753-*
##############################################
nwchem-7.0.1/src/lucia/densi2_ab.F-1094- IF(NTEST.GE.600) THEN
nwchem-7.0.1/src/lucia/densi2_ab.F:1095: write(6,*) ' IASM JASM IJSM ',IASM,JASM,IJSM
nwchem-7.0.1/src/lucia/densi2_ab.F-1096- write(6,*) ' IBSM JBSM KLSM ',IBSM,JBSM,KLSM
##############################################
nwchem-7.0.1/src/lucia/dim_pa.F-52- DO ISSM = 1, NSMST
nwchem-7.0.1/src/lucia/dim_pa.F:53: DO KASM = 1, NSMST
nwchem-7.0.1/src/lucia/dim_pa.F-54- L_SPII = 0
##############################################
nwchem-7.0.1/src/lucia/fio.inc-42- & FSCB(MxFile),
nwchem-7.0.1/src/lucia/fio.inc:43: & Addr(MxFile),
nwchem-7.0.1/src/lucia/fio.inc:44: & MxAddr(MxFile),
nwchem-7.0.1/src/lucia/fio.inc-45- & RefBuf(8),
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-112- WRITE(6,*) ' IATP IBTP JATP JBTP ',IATP,IBTP,JATP,JBTP
nwchem-7.0.1/src/lucia/gasdir2.F:113: WRITE(6,*) ' IASM IBSM, JASM, JBSM = ', IASM, IBSM, JASM, JBSM
nwchem-7.0.1/src/lucia/gasdir2.F-114- WRITE(6,*) ' IH_OCC_CON, INTERACT = ', IH_OCC_CON,INTERACT
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-281- IF(ISIMSYM.EQ.1 .AND. ISM. EQ. 1 ) THEN
nwchem-7.0.1/src/lucia/gasdir2.F:282: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/gasdir2.F-283- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-295-*. Should this block be included
nwchem-7.0.1/src/lucia/gasdir2.F:296: IASM = ISM
nwchem-7.0.1/src/lucia/gasdir2.F-297- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-312- IF(NTEST.GE.1000.and.ga_nodeid().eq.0) THEN
nwchem-7.0.1/src/lucia/gasdir2.F:313:cVOG WRITE(6,*) ' IASM IBSM IA IB LBLOCKP,LBLOCK' ,
nwchem-7.0.1/src/lucia/gasdir2.F:314: WRITE(6,'(a,6I5)') ' IASM IBSM IA IB LBLOCKP,LBLOCK' ,
nwchem-7.0.1/src/lucia/gasdir2.F-315- & IASM,IBSM,IA,IB,LBLOCKP,LBLOCK
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-2402- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:2403: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-2404- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-2420- JBTP = ICBLOCK(2,JCBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:2421: JASM = ICBLOCK(3,JCBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-2422- JBSM = ICBLOCK(4,JCBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-2437- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F:2438: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F-2439- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-2444- WRITE(6,*) ' Next s block in batch : '
nwchem-7.0.1/src/lucia/gasdir2.F:2445: write(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F-2446- write(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-2452- JBTP = ICBLOCK(2,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F:2453: JASM = ICBLOCK(3,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F-2454- JBSM = ICBLOCK(4,ICBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-2470- DO 8765 IPERM = 1, NPERM
nwchem-7.0.1/src/lucia/gasdir2.F:2471: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F-2472- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-2504- WRITE(6,*) ' ISOFF ', ISOFF
nwchem-7.0.1/src/lucia/gasdir2.F:2505: WRITE(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F-2506- WRITE(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F-2507- WRITE(6,*) ' C block : '
nwchem-7.0.1/src/lucia/gasdir2.F:2508: WRITE(6,*) ' ICBLK LLASM LLBSM LLATP LLBTP'
nwchem-7.0.1/src/lucia/gasdir2.F-2509- WRITE(6,'(5I5)') ICBLK,LLASM,LLBSM,LLATP,LLBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-2590- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F:2591: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F-2592- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-2973- JBTP = IBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:2974: JASM = IBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-2975- NELMNT = IBLOCK(8,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-3644- IBTP = IBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:3645: IASM = IBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-3646- IBSM = IBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-3648- IF(NTEST.GE.20) THEN
nwchem-7.0.1/src/lucia/gasdir2.F:3649: WRITE(6,*) ' Block in action : IATP IBTP IASM IBSM ',
nwchem-7.0.1/src/lucia/gasdir2.F-3650- & IATP,IBTP,IASM,IBSM
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-3662-*
nwchem-7.0.1/src/lucia/gasdir2.F:3663:*. Obtain alpha strings of sym IASM and type IATP
nwchem-7.0.1/src/lucia/gasdir2.F-3664- IDUM = 0
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4013- WRITE(6,*)
nwchem-7.0.1/src/lucia/gasdir2.F:4014: WRITE(6,*) ' IATP IBTP IASM IBSM '
nwchem-7.0.1/src/lucia/gasdir2.F-4015- WRITE(6,*) ' ====================== '
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4125- WRITE(6,*)
nwchem-7.0.1/src/lucia/gasdir2.F:4126: WRITE(6,*) ' IATP IBTP IASM IBSM '
nwchem-7.0.1/src/lucia/gasdir2.F-4127- WRITE(6,*) ' ====================== '
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4139- IBTP = IBLOCKC(2,1)
nwchem-7.0.1/src/lucia/gasdir2.F:4140: IASM = IBLOCKC(3,1)
nwchem-7.0.1/src/lucia/gasdir2.F-4141- IBSM = IBLOCKC(4,1)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4325- IBTP = IBLOCK(2, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:4326: IASM = IBLOCK(3, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-4327- IBSM = IBLOCK(4, JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4344- NIB = NSBSO(IBSM,IBTP)
nwchem-7.0.1/src/lucia/gasdir2.F:4345:C? write(6,*) ' iatp ibtp iasm ibsm nia nib ',
nwchem-7.0.1/src/lucia/gasdir2.F-4346-C? & iatp,ibtp,iasm,ibsm,nia,nib
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4351- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/gasdir2.F:4352: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F-4353- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4360- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/gasdir2.F:4361: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F-4362- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4400- IBTP = IBLOCK(2, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:4401: IASM = IBLOCK(3, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-4402- IBSM = IBLOCK(4, JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4418- NIB = NSBSO(IBSM,IBTP)
nwchem-7.0.1/src/lucia/gasdir2.F:4419:C? write(6,*) ' iatp ibtp iasm ibsm nia nib ',
nwchem-7.0.1/src/lucia/gasdir2.F-4420-C? & iatp,ibtp,iasm,ibsm,nia,nib
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4434- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/gasdir2.F:4435: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F-4436- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4447- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/gasdir2.F:4448: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F-4449- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4492- IBTP = IBLOCK(2, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:4493: IASM = IBLOCK(3, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-4494- IBSM = IBLOCK(4, JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4510- NIB = NSBSO(IBSM,IBTP)
nwchem-7.0.1/src/lucia/gasdir2.F:4511:C? write(6,*) ' iatp ibtp iasm ibsm nia nib ',
nwchem-7.0.1/src/lucia/gasdir2.F-4512-C? & iatp,ibtp,iasm,ibsm,nia,nib
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4517- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/gasdir2.F:4518: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F-4519- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4526- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/gasdir2.F:4527: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F-4528- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4585- IBTP = IBLOCK(2, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:4586: IASM = IBLOCK(3, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-4587- IBSM = IBLOCK(4, JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4677- IBTP = IBLOCK(2, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:4678: IASM = IBLOCK(3, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-4679- IBSM = IBLOCK(4, JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-4704-C? write(6,*)
nwchem-7.0.1/src/lucia/gasdir2.F:4705:C? & ' RFTTS : IATP IBTP IASM IBSM ',IATP,IBTP,IASM,IBSM
nwchem-7.0.1/src/lucia/gasdir2.F-4706-C? WRITE(6,*)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-5401- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:5402: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-5403- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-5479- JBTP = ICBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:5480: JASM = ICBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-5481- JBSM = ICBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-5486- DO IPERM = 1, NPERM
nwchem-7.0.1/src/lucia/gasdir2.F:5487: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F-5488- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-5497- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:5498: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-5499- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-5595- JBTP = ICBLOCK(2,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F:5596: JASM = ICBLOCK(3,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F-5597- JBSM = ICBLOCK(4,ICBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-5610- DO 8765 IPERM = NPERM,1, -1
nwchem-7.0.1/src/lucia/gasdir2.F:5611: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F-5612- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-5660- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F:5661: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F-5662- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-5708- WRITE(6,*) ' Next s block in batch : '
nwchem-7.0.1/src/lucia/gasdir2.F:5709: write(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F-5710- write(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-5724- WRITE(6,*) ' ISOFF ', ISOFF
nwchem-7.0.1/src/lucia/gasdir2.F:5725: WRITE(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F-5726- WRITE(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F-5727- WRITE(6,*) ' C block : '
nwchem-7.0.1/src/lucia/gasdir2.F:5728: WRITE(6,*) ' ICBLK LLASM LLBSM LLATP LLBTP'
nwchem-7.0.1/src/lucia/gasdir2.F-5729- WRITE(6,'(5I5)') ICBLK,LLASM,LLBSM,LLATP,LLBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-5851- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F:5852: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F-5853- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-7423-*
nwchem-7.0.1/src/lucia/gasdir2.F:7424:* <IASM IATP IBSM IBTP | H(apr) | JASM, JATP JBSM, JBTP>
nwchem-7.0.1/src/lucia/gasdir2.F-7425-*
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-7486- WRITE(6,*) ' ================='
nwchem-7.0.1/src/lucia/gasdir2.F:7487: WRITE(6,*) ' | IASM IATP IBSM IBTP > :',
nwchem-7.0.1/src/lucia/gasdir2.F-7488- & '|',IASM,IATP,IBSM,IBTP,'>'
nwchem-7.0.1/src/lucia/gasdir2.F:7489: WRITE(6,*) ' | JASM JATP JBSM JBTP > :',
nwchem-7.0.1/src/lucia/gasdir2.F-7490- & '|',JASM,JATP,JBSM,JBTP,'>'
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-7514-*
nwchem-7.0.1/src/lucia/gasdir2.F:7515:* Contributions to sigma block (iasm iatp, ibsm ibtp ) from
nwchem-7.0.1/src/lucia/gasdir2.F:7516:* C block (jasm jatp , jbsm, jbtp)
nwchem-7.0.1/src/lucia/gasdir2.F-7517-*
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-7626- WRITE(6,*) ' IHAPR and IDIAG ', IHAPR,IDIAG
nwchem-7.0.1/src/lucia/gasdir2.F:7627: WRITE(6,*) ' IASM IATP JASM JATP ', IASM,IATP,JASM,JATP
nwchem-7.0.1/src/lucia/gasdir2.F-7628- WRITE(6,*) ' IBSM IBTP JBSM JBTP ', IBSM,IBTP,JBSM,JBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-8281-*
nwchem-7.0.1/src/lucia/gasdir2.F:8282:* Contributions to sigma block (iasm iatp, ibsm ibtp ) from
nwchem-7.0.1/src/lucia/gasdir2.F:8283:* C block (jasm jatp , jbsm, jbtp)
nwchem-7.0.1/src/lucia/gasdir2.F-8284-*
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-8417- CALL IWRTMA(JBOC,1,NGAS,1,NGAS)
nwchem-7.0.1/src/lucia/gasdir2.F:8418: WRITE(6,*) ' IASM IATP JASM JATP ', IASM,IATP,JASM,JATP
nwchem-7.0.1/src/lucia/gasdir2.F-8419- WRITE(6,*) ' IBSM IBTP JBSM JBTP ', IBSM,IBTP,JBSM,JBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9017- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:9018: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-9019- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9056- JBTP = ICBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:9057: JASM = ICBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-9058- JBSM = ICBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9063- DO IPERM = 1, NPERM
nwchem-7.0.1/src/lucia/gasdir2.F:9064: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F-9065- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9073- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:9074: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-9075- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9122- JBTP = ICBLOCK(2,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F:9123: JASM = ICBLOCK(3,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F-9124- JBSM = ICBLOCK(4,ICBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9136- DO 8765 IPERM = NPERM,1, -1
nwchem-7.0.1/src/lucia/gasdir2.F:9137: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F-9138- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9161- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F:9162: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F-9163- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9182- WRITE(6,*) ' Next s block in batch : '
nwchem-7.0.1/src/lucia/gasdir2.F:9183: write(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F-9184- write(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9195- WRITE(6,*) ' ISOFF ', ISOFF
nwchem-7.0.1/src/lucia/gasdir2.F:9196: WRITE(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F-9197- WRITE(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F-9198- WRITE(6,*) ' C block : '
nwchem-7.0.1/src/lucia/gasdir2.F:9199: WRITE(6,*) ' ICBLK LLASM LLBSM LLATP LLBTP'
nwchem-7.0.1/src/lucia/gasdir2.F-9200- WRITE(6,'(5I5)') ICBLK,LLASM,LLBSM,LLATP,LLBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9280- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F:9281: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F-9282- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9923- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:9924: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-9925- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9967- JBTP = ICBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:9968: JASM = ICBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-9969- JBSM = ICBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9974- DO IPERM = 1, NPERM
nwchem-7.0.1/src/lucia/gasdir2.F:9975: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F-9976- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-9984- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F:9985: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F-9986- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-10057- JBTP = ICBLOCK(2,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F:10058: JASM = ICBLOCK(3,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F-10059- JBSM = ICBLOCK(4,ICBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-10072- DO 8765 IPERM = NPERM,1, -1
nwchem-7.0.1/src/lucia/gasdir2.F:10073: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F-10074- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-10108- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F:10109: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F-10110- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-10129- WRITE(6,*) ' Next s block in batch : '
nwchem-7.0.1/src/lucia/gasdir2.F:10130: write(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F-10131- write(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-10142- WRITE(6,*) ' ISOFF ', ISOFF
nwchem-7.0.1/src/lucia/gasdir2.F:10143: WRITE(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F-10144- WRITE(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F-10145- WRITE(6,*) ' C block : '
nwchem-7.0.1/src/lucia/gasdir2.F:10146: WRITE(6,*) ' ICBLK LLASM LLBSM LLATP LLBTP'
nwchem-7.0.1/src/lucia/gasdir2.F-10147- WRITE(6,'(5I5)') ICBLK,LLASM,LLBSM,LLATP,LLBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-10272- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F:10273: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F-10274- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F-10617-*
nwchem-7.0.1/src/lucia/gasdir2.F:10618:*. Obtain alpha strings of sym IASM and type IASPGP
nwchem-7.0.1/src/lucia/gasdir2.F-10619- IDUM = 0
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-105- WRITE(6,*) ' IATP IBTP JATP JBTP ',IATP,IBTP,JATP,JBTP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:106: WRITE(6,*) ' IASM IBSM, JASM, JBSM = ', IASM, IBSM, JASM, JBSM
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-107- WRITE(6,*) ' IH_OCC_CON, INTERACT = ', IH_OCC_CON,INTERACT
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-267- IF(ISIMSYM.EQ.1 .AND. ISM. EQ. 1 ) THEN
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:268: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-269- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-281-*. Should this block be included
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:282: IASM = ISM
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-283- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-297- IF(NTEST.GE.1000) THEN
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:298: WRITE(6,*) ' IASM IBSM IA IB LBLOCKP,LBLOCK' ,
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-299- & IASM,IBSM,IA,IB,LBLOCKP,LBLOCK
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2385- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:2386: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2387- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2403- JBTP = ICBLOCK(2,JCBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:2404: JASM = ICBLOCK(3,JCBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2405- JBSM = ICBLOCK(4,JCBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2420- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:2421: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2422- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2427- WRITE(6,*) ' Next s block in batch : '
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:2428: write(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2429- write(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2435- JBTP = ICBLOCK(2,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:2436: JASM = ICBLOCK(3,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2437- JBSM = ICBLOCK(4,ICBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2453- DO 8765 IPERM = 1, NPERM
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:2454: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2455- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2487- WRITE(6,*) ' ISOFF ', ISOFF
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:2488: WRITE(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2489- WRITE(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2490- WRITE(6,*) ' C block : '
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:2491: WRITE(6,*) ' ICBLK LLASM LLBSM LLATP LLBTP'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2492- WRITE(6,'(5I5)') ICBLK,LLASM,LLBSM,LLATP,LLBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2573- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:2574: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2575- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2956- JBTP = IBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:2957: JASM = IBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-2958- NELMNT = IBLOCK(8,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-3627- IBTP = IBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:3628: IASM = IBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-3629- IBSM = IBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-3631- IF(NTEST.GE.20) THEN
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:3632: WRITE(6,*) ' Block in action : IATP IBTP IASM IBSM ',
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-3633- & IATP,IBTP,IASM,IBSM
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-3645-*
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:3646:*. Obtain alpha strings of sym IASM and type IATP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-3647- IDUM = 0
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-3996- WRITE(6,*)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:3997: WRITE(6,*) ' IATP IBTP IASM IBSM '
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-3998- WRITE(6,*) ' ====================== '
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4108- WRITE(6,*)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4109: WRITE(6,*) ' IATP IBTP IASM IBSM '
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4110- WRITE(6,*) ' ====================== '
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4122- IBTP = IBLOCKC(2,1)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4123: IASM = IBLOCKC(3,1)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4124- IBSM = IBLOCKC(4,1)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4308- IBTP = IBLOCK(2, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4309: IASM = IBLOCK(3, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4310- IBSM = IBLOCK(4, JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4327- NIB = NSBSO(IBSM,IBTP)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4328:C? write(6,*) ' iatp ibtp iasm ibsm nia nib ',
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4329-C? & iatp,ibtp,iasm,ibsm,nia,nib
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4334- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4335: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4336- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4343- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4344: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4345- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4383- IBTP = IBLOCK(2, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4384: IASM = IBLOCK(3, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4385- IBSM = IBLOCK(4, JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4401- NIB = NSBSO(IBSM,IBTP)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4402:C? write(6,*) ' iatp ibtp iasm ibsm nia nib ',
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4403-C? & iatp,ibtp,iasm,ibsm,nia,nib
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4417- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4418: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4419- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4430- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4431: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4432- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4475- IBTP = IBLOCK(2, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4476: IASM = IBLOCK(3, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4477- IBSM = IBLOCK(4, JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4493- NIB = NSBSO(IBSM,IBTP)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4494:C? write(6,*) ' iatp ibtp iasm ibsm nia nib ',
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4495-C? & iatp,ibtp,iasm,ibsm,nia,nib
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4500- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4501: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4502- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4509- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4510: & ' Iasm iatp ibtp : ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4511- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4568- IBTP = IBLOCK(2, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4569: IASM = IBLOCK(3, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4570- IBSM = IBLOCK(4, JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4660- IBTP = IBLOCK(2, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4661: IASM = IBLOCK(3, JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4662- IBSM = IBLOCK(4, JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4687-C? write(6,*)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:4688:C? & ' RFTTS : IATP IBTP IASM IBSM ',IATP,IBTP,IASM,IBSM
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-4689-C? WRITE(6,*)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5395- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:5396: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5397- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5473- JBTP = ICBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:5474: JASM = ICBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5475- JBSM = ICBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5480- DO IPERM = 1, NPERM
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:5481: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5482- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5490- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:5491: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5492- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5587- JBTP = ICBLOCK(2,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:5588: JASM = ICBLOCK(3,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5589- JBSM = ICBLOCK(4,ICBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5602- DO 8765 IPERM = NPERM,1, -1
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:5603: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5604- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5651- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:5652: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5653- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5698- WRITE(6,*) ' Next s block in batch : '
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:5699: write(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5700- write(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5713- WRITE(6,*) ' ISOFF ', ISOFF
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:5714: WRITE(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5715- WRITE(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5716- WRITE(6,*) ' C block : '
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:5717: WRITE(6,*) ' ICBLK LLASM LLBSM LLATP LLBTP'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5718- WRITE(6,'(5I5)') ICBLK,LLASM,LLBSM,LLATP,LLBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5828- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:5829: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-5830- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-7398-*
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:7399:* <IASM IATP IBSM IBTP | H(apr) | JASM, JATP JBSM, JBTP>
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-7400-*
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-7461- WRITE(6,*) ' ================='
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:7462: WRITE(6,*) ' | IASM IATP IBSM IBTP > :',
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-7463- & '|',IASM,IATP,IBSM,IBTP,'>'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:7464: WRITE(6,*) ' | JASM JATP JBSM JBTP > :',
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-7465- & '|',JASM,JATP,JBSM,JBTP,'>'
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-7489-*
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:7490:* Contributions to sigma block (iasm iatp, ibsm ibtp ) from
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:7491:* C block (jasm jatp , jbsm, jbtp)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-7492-*
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-7601- WRITE(6,*) ' IHAPR and IDIAG ', IHAPR,IDIAG
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:7602: WRITE(6,*) ' IASM IATP JASM JATP ', IASM,IATP,JASM,JATP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-7603- WRITE(6,*) ' IBSM IBTP JBSM JBTP ', IBSM,IBTP,JBSM,JBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-8256-*
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:8257:* Contributions to sigma block (iasm iatp, ibsm ibtp ) from
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:8258:* C block (jasm jatp , jbsm, jbtp)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-8259-*
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-8392- CALL IWRTMA(JBOC,1,NGAS,1,NGAS)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:8393: WRITE(6,*) ' IASM IATP JASM JATP ', IASM,IATP,JASM,JATP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-8394- WRITE(6,*) ' IBSM IBTP JBSM JBTP ', IBSM,IBTP,JBSM,JBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-8993- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:8994: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-8995- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9032- JBTP = ICBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9033: JASM = ICBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9034- JBSM = ICBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9039- DO IPERM = 1, NPERM
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9040: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9041- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9049- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9050: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9051- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9098- JBTP = ICBLOCK(2,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9099: JASM = ICBLOCK(3,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9100- JBSM = ICBLOCK(4,ICBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9112- DO 8765 IPERM = NPERM,1, -1
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9113: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9114- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9137- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9138: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9139- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9158- WRITE(6,*) ' Next s block in batch : '
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9159: write(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9160- write(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9171- WRITE(6,*) ' ISOFF ', ISOFF
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9172: WRITE(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9173- WRITE(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9174- WRITE(6,*) ' C block : '
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9175: WRITE(6,*) ' ICBLK LLASM LLBSM LLATP LLBTP'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9176- WRITE(6,'(5I5)') ICBLK,LLASM,LLBSM,LLATP,LLBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9256- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9257: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9258- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9899- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9900: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9901- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9943- JBTP = ICBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9944: JASM = ICBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9945- JBSM = ICBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9950- DO IPERM = 1, NPERM
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9951: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9952- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9960- IBTP = ISBLOCK(2,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:9961: IASM = ISBLOCK(3,JSBLOCK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-9962- IBSM = ISBLOCK(4,JSBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10033- JBTP = ICBLOCK(2,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:10034: JASM = ICBLOCK(3,ICBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10035- JBSM = ICBLOCK(4,ICBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10048- DO 8765 IPERM = NPERM,1, -1
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:10049: LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10050- LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10084- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:10085: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10086- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10105- WRITE(6,*) ' Next s block in batch : '
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:10106: write(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10107- write(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10118- WRITE(6,*) ' ISOFF ', ISOFF
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:10119: WRITE(6,*) ' ISBLK IASM IBSM IATP IBTP'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10120- WRITE(6,'(5I5)') ISBLK,IASM,IBSM,IATP,IBTP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10121- WRITE(6,*) ' C block : '
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:10122: WRITE(6,*) ' ICBLK LLASM LLBSM LLATP LLBTP'
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10123- WRITE(6,'(5I5)') ICBLK,LLASM,LLBSM,LLATP,LLBTP
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10248- IBTP = ISBLOCK(2,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:10249: IASM = ISBLOCK(3,ISBLK)
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10250- IBSM = ISBLOCK(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10593-*
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514:10594:*. Obtain alpha strings of sym IASM and type IASPGP
nwchem-7.0.1/src/lucia/gasdir2.F_vog0514-10595- IDUM = 0
##############################################
nwchem-7.0.1/src/lucia/gasrou.F-2989- XLTTS_AS = 0.0D0
nwchem-7.0.1/src/lucia/gasrou.F:2990: DO 300 IASM = 1, NSMST
nwchem-7.0.1/src/lucia/gasrou.F-2991- IF(IBLTP(IASM).EQ.0) GOTO 300
##############################################
nwchem-7.0.1/src/lucia/gasrou.F-3533- IBTP = IBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/gasrou.F:3534: IASM = IBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/gasrou.F-3535- IBSM = IBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasrou.F-3550- IF(IMZERO.NE.1) THEN
nwchem-7.0.1/src/lucia/gasrou.F:3551:*. Obtain alpha strings of sym IASM and type IATP
nwchem-7.0.1/src/lucia/gasrou.F-3552- IDUM = 0
##############################################
nwchem-7.0.1/src/lucia/gasrou.F-3652- IBTP = IBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/gasrou.F:3653: IASM = IBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/gasrou.F-3654- IBSM = IBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/gasrou.F-3806-*
nwchem-7.0.1/src/lucia/gasrou.F:3807:* Contributions to sigma block (iasm iatp, ibsm ibtp ) from
nwchem-7.0.1/src/lucia/gasrou.F:3808:* C block (jasm jatp , jbsm, jbtp)
nwchem-7.0.1/src/lucia/gasrou.F-3809-*
##############################################
nwchem-7.0.1/src/lucia/gasrou.F-5596- IBTP = IBLKFO(2,IBLK)
nwchem-7.0.1/src/lucia/gasrou.F:5597: IASM = IBLKFO(3,IBLK)
nwchem-7.0.1/src/lucia/gasrou.F-5598- IBSM = IBLKFO(4,IBLK)
##############################################
nwchem-7.0.1/src/lucia/gasrou.F-5608-*
nwchem-7.0.1/src/lucia/gasrou.F:5609:*. Obtain alpha strings of sym IASM and type IATP
nwchem-7.0.1/src/lucia/gasrou.F-5610- IDUM = 0
##############################################
nwchem-7.0.1/src/lucia/gasrou.F-9770- IBTP = IBLKFO(2,IBLK)
nwchem-7.0.1/src/lucia/gasrou.F:9771: IASM = IBLKFO(3,IBLK)
nwchem-7.0.1/src/lucia/gasrou.F-9772- IBSM = IBLKFO(4,IBLK)
##############################################
nwchem-7.0.1/src/lucia/gasrou.F-9785-*
nwchem-7.0.1/src/lucia/gasrou.F:9786:*. Obtain alpha strings of sym IASM and type IATP
nwchem-7.0.1/src/lucia/gasrou.F-9787- IDUM = 0
##############################################
nwchem-7.0.1/src/lucia/i2addr.F:1: function i2addr(iorb,jorb,korb,lorb,ijklof,noccsym,no12sym)
nwchem-7.0.1/src/lucia/i2addr.F-2-*
##############################################
nwchem-7.0.1/src/lucia/i2addr.F-659- IF (.NOT.(I_UNRORB.EQ.1.AND.ISPCAS.EQ.4)) THEN
nwchem-7.0.1/src/lucia/i2addr.F:660: IADR = I2ADDR(IREOTS(I),IREOTS(J),
nwchem-7.0.1/src/lucia/i2addr.F-661- & IREOTS(K),IREOTS(L),
##############################################
nwchem-7.0.1/src/lucia/i2addr.F-663- ELSE
nwchem-7.0.1/src/lucia/i2addr.F:664: IADR = I2ADDR(IREOTS(K),IREOTS(L),
nwchem-7.0.1/src/lucia/i2addr.F-665- & IREOTS(I),IREOTS(J),
##############################################
nwchem-7.0.1/src/lucia/i2addr.F-742- IF (.NOT.(I_UNRORB.EQ.1.AND.ISPCAS.EQ.4)) THEN
nwchem-7.0.1/src/lucia/i2addr.F:743: IADR = I2ADDR(IREOTS(I),IREOTS(J),
nwchem-7.0.1/src/lucia/i2addr.F-744- & IREOTS(K),IREOTS(L),
##############################################
nwchem-7.0.1/src/lucia/i2addr.F-746- ELSE
nwchem-7.0.1/src/lucia/i2addr.F:747: IADR = I2ADDR(IREOTS(K),IREOTS(L),
nwchem-7.0.1/src/lucia/i2addr.F-748- & IREOTS(I),IREOTS(J),
##############################################
nwchem-7.0.1/src/lucia/idafile.F-78-* Dummy write. No I/O is made. Disk address is updated.
nwchem-7.0.1/src/lucia/idafile.F:79:* Addr(Lu) = iDisk+ExtAdr(BufLen(lBuf))
nwchem-7.0.1/src/lucia/idafile.F:80:* iDisk = Addr(Lu)
nwchem-7.0.1/src/lucia/idafile.F-81-* Else If ( (iOpt.eq.5) .or. (iOpt.eq.10) ) then
nwchem-7.0.1/src/lucia/idafile.F:82:* Addr(Lu) = 0
nwchem-7.0.1/src/lucia/idafile.F:83:* iDisk = Addr(Lu)
nwchem-7.0.1/src/lucia/idafile.F-84-* Else
##############################################
nwchem-7.0.1/src/lucia/idafile.F-87-* Call MpDaFile(Lu,MaxFileSize,iOpt,Buf,lBuf,kDisk)
nwchem-7.0.1/src/lucia/idafile.F:88:* Addr(Lu) = jDisk+ExtAdr(BufLen(lBuf))
nwchem-7.0.1/src/lucia/idafile.F:89:* iDisk = Addr(Lu)
nwchem-7.0.1/src/lucia/idafile.F-90-* End If
##############################################
nwchem-7.0.1/src/lucia/idafile_.F-71-
nwchem-7.0.1/src/lucia/idafile_.F:72: Addr(Lu) = iDisk
nwchem-7.0.1/src/lucia/idafile_.F-73- lDisk = iDisk
##############################################
nwchem-7.0.1/src/lucia/idafile_.F-75- If ( iOpt.eq.0 ) then
nwchem-7.0.1/src/lucia/idafile_.F:76: Addr(Lu) = Addr(Lu)+ExtAdr(BufLen(lBuf))
nwchem-7.0.1/src/lucia/idafile_.F:77: MxAddr(Lu) = Max(MxAddr(Lu),Addr(Lu))
nwchem-7.0.1/src/lucia/idafile_.F:78: iDisk = Addr(Lu)
nwchem-7.0.1/src/lucia/idafile_.F-79-* Write to disk.
##############################################
nwchem-7.0.1/src/lucia/idafile_.F-93- End If
nwchem-7.0.1/src/lucia/idafile_.F:94: Addr(Lu) = Addr(Lu)+ExtAdr(BufLen(lBuf))
nwchem-7.0.1/src/lucia/idafile_.F:95: MxAddr(Lu) = Max(MxAddr(Lu),Addr(Lu))
nwchem-7.0.1/src/lucia/idafile_.F-96- Count(3,Lu) = Count(3,Lu)+1
nwchem-7.0.1/src/lucia/idafile_.F-97- Count(4,Lu) = Count(4,Lu)+dble(lBuf*ItoB)/1024.0d0
nwchem-7.0.1/src/lucia/idafile_.F:98: iDisk = Addr(Lu)
nwchem-7.0.1/src/lucia/idafile_.F-99-* Read from disk
##############################################
nwchem-7.0.1/src/lucia/idafile_.F-119- End If
nwchem-7.0.1/src/lucia/idafile_.F:120: Addr(Lu) = Addr(Lu)+ExtAdr(BufLen(lBuf))
nwchem-7.0.1/src/lucia/idafile_.F:121: MxAddr(Lu) = Max(MxAddr(Lu),Addr(Lu))
nwchem-7.0.1/src/lucia/idafile_.F-122- Count(1,Lu) = Count(1,Lu)+1
nwchem-7.0.1/src/lucia/idafile_.F-123- Count(2,Lu) = Count(2,Lu)+dble(lBuf*ItoB)/1024.0d0
nwchem-7.0.1/src/lucia/idafile_.F:124:cGLM iDisk = Addr(Lu)
nwchem-7.0.1/src/lucia/idafile_.F-125- iDisk = lDisk
##############################################
nwchem-7.0.1/src/lucia/idafile_.F-129- write(6,*) ' Lu : ', Lu
nwchem-7.0.1/src/lucia/idafile_.F:130: write(6,*) ' Addr(Lu) : ', Addr(Lu)
nwchem-7.0.1/src/lucia/idafile_.F:131: write(6,*) ' MxAddr(Lu) : ', MxAddr(Lu)
nwchem-7.0.1/src/lucia/idafile_.F-132- write(6,*) ' Count(1,Lu): ', Count(1,Lu)
##############################################
nwchem-7.0.1/src/lucia/lucia.F-3119-*
nwchem-7.0.1/src/lucia/lucia.F:3120:* <Iasm Iatp Ibsm Ibtp ! H ! Jasm Jatp Jbsm JBtp >
nwchem-7.0.1/src/lucia/lucia.F-3121-*
##############################################
nwchem-7.0.1/src/lucia/lucia.F-3186- WRITE(6,'(A)')
nwchem-7.0.1/src/lucia/lucia.F:3187: &' IASM IATP IBSM IBTP JASM JATP JBSM JBTP '
nwchem-7.0.1/src/lucia/lucia.F-3188- WRITE(6,'(1H ,8I5)')
##############################################
nwchem-7.0.1/src/lucia/lucia.F-4492- IDET = 0
nwchem-7.0.1/src/lucia/lucia.F:4493: DO 1000 IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia.F-4494- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia.F-4612-*
nwchem-7.0.1/src/lucia/lucia.F:4613: DO 100 IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia.F-4614- IBSM = ISMOS(IASM)
nwchem-7.0.1/src/lucia/lucia.F:4615:C write(6,*) ' Iasm ibsm ', iasm,ibsm
nwchem-7.0.1/src/lucia/lucia.F-4616- IF(IBSM.EQ.0.OR.IBLTP(IASM).EQ.0) GOTO 100
##############################################
nwchem-7.0.1/src/lucia/lucia.F-4654- IDET = IDET + 1
nwchem-7.0.1/src/lucia/lucia.F:4655:C WRITE(6,*) ' IASM IBSM IA IB IDET ',IASM,IBSM,IA,IB,IDET
nwchem-7.0.1/src/lucia/lucia.F-4656- IF( XMAX .GE. ABS(C(IDET)) .AND.
##############################################
nwchem-7.0.1/src/lucia/lucia.F-4703-C write(6,*) ' Jest before loop 200 '
nwchem-7.0.1/src/lucia/lucia.F:4704: DO 200 IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia.F-4705- IBSM = ISMOS(IASM)
nwchem-7.0.1/src/lucia/lucia.F:4706:C write(6,*) ' iasm ibsm ', iasm,ibsm
nwchem-7.0.1/src/lucia/lucia.F-4707- IF(IBSM.EQ.0.OR.IBLTP(IASM).EQ.0) GOTO 200
##############################################
nwchem-7.0.1/src/lucia/lucia.F-14134- IBTP = IB
nwchem-7.0.1/src/lucia/lucia.F:14135: IASM = ISM
nwchem-7.0.1/src/lucia/lucia.F:14136:C? WRITE(6,*) ' IATP, IBTP, IASM = ', IATP, IBTP, IASM
nwchem-7.0.1/src/lucia/lucia.F-14137- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia.F-14147-*
nwchem-7.0.1/src/lucia/lucia.F:14148:C? WRITE(6,*) ' IASM IBSM IA IB LBLOCKP,LBLOCK' ,
nwchem-7.0.1/src/lucia/lucia.F-14149-C? & IASM,IBSM,IA,IB,LBLOCKP,LBLOCK
##############################################
nwchem-7.0.1/src/lucia/lucia.F-15566- IBTP = IBATS(2,ISBLK)
nwchem-7.0.1/src/lucia/lucia.F:15567: IASM = IBATS(3,ISBLK)
nwchem-7.0.1/src/lucia/lucia.F-15568- IBSM = IBATS(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/lucia.F-31650-*
nwchem-7.0.1/src/lucia/lucia.F:31651:* Contributions to sigma block (iasm iatp, ibsm ibtp ) from
nwchem-7.0.1/src/lucia/lucia.F:31652:* C block (jasm jatp , jbsm, jbtp)
nwchem-7.0.1/src/lucia/lucia.F-31653-*
##############################################
nwchem-7.0.1/src/lucia/lucia.F-32956- IBASE = 1
nwchem-7.0.1/src/lucia/lucia.F:32957: DO 1000 IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia.F-32958- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia.F-32976- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/lucia.F:32977: & ' Iasm iatp ibtp: ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/lucia.F-32978- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/lucia.F-32986- WRITE(6,'(A,3I3)')
nwchem-7.0.1/src/lucia/lucia.F:32987: & ' Iasm iatp ibtp: ', IASM,IATP,IBTP
nwchem-7.0.1/src/lucia/lucia.F-32988- WRITE(6,'(A)')
##############################################
nwchem-7.0.1/src/lucia/lucia.F-33215-*======================
nwchem-7.0.1/src/lucia/lucia.F:33216:* NORASM : Number of orbitals per abelian symmetry
nwchem-7.0.1/src/lucia/lucia.F-33217-* MNMLOB : Smallest ML of orbitals
##############################################
nwchem-7.0.1/src/lucia/lucia.F-33292- IF( NTEST.GE. 2 ) THEN
nwchem-7.0.1/src/lucia/lucia.F:33293: WRITE(6,*) ' NORASM '
nwchem-7.0.1/src/lucia/lucia.F-33294- CALL IWRTMA(NORASM,1,NSMOB,1,NSMOB)
##############################################
nwchem-7.0.1/src/lucia/lucia1.F-2487-*
nwchem-7.0.1/src/lucia/lucia1.F:2488:* operation * JASM * JBSM * JATP * JBTP * Iperm * Sign *
nwchem-7.0.1/src/lucia/lucia1.F-2489-* *********************************************************************
nwchem-7.0.1/src/lucia/lucia1.F:2490:* * Identity * IASM * IBSM * IATP * IBTP * 0 * 1 *
nwchem-7.0.1/src/lucia/lucia1.F-2491-* * Ml * ISGV(IASM) * ISGV(IBSM) * IATP * IBTP * 0 * PL *
nwchem-7.0.1/src/lucia/lucia1.F:2492:* * Ms * IBSM * IASM * IBTP * IATP * 1 * PS *
nwchem-7.0.1/src/lucia/lucia1.F-2493-* * Ms+Ml * ISGV(IBSM) * ISGV(IASM) * IBTP * IATP * 1 * PS PL*
##############################################
nwchem-7.0.1/src/lucia/lucia1.F-2502-*. To eliminate some compiler warnings
nwchem-7.0.1/src/lucia/lucia1.F:2503: KASM = 0
nwchem-7.0.1/src/lucia/lucia1.F-2504- KBSM = 0
##############################################
nwchem-7.0.1/src/lucia/lucia1.F-2518-*
nwchem-7.0.1/src/lucia/lucia1.F:2519: KASM = IASM
nwchem-7.0.1/src/lucia/lucia1.F-2520- KBSM = IBSM
##############################################
nwchem-7.0.1/src/lucia/lucia1.F-2529-*
nwchem-7.0.1/src/lucia/lucia1.F:2530: KASM = ISGV(IASM)
nwchem-7.0.1/src/lucia/lucia1.F-2531- KBSM = ISGV(IBSM)
##############################################
nwchem-7.0.1/src/lucia/lucia1.F-2544-*
nwchem-7.0.1/src/lucia/lucia1.F:2545: KASM = IBSM
nwchem-7.0.1/src/lucia/lucia1.F-2546- KBSM = IASM
##############################################
nwchem-7.0.1/src/lucia/lucia1.F-2559-*
nwchem-7.0.1/src/lucia/lucia1.F:2560: KASM = ISGV(IBSM)
nwchem-7.0.1/src/lucia/lucia1.F-2561- KBSM = ISGV(IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia1.F-2576- DO 50 LPERM = 1, NPERM
nwchem-7.0.1/src/lucia/lucia1.F:2577: IF(JATP(LPERM).EQ.KATP .AND. JASM(LPERM).EQ.KASM .AND.
nwchem-7.0.1/src/lucia/lucia1.F-2578- & JBTP(LPERM).EQ.KBTP .AND. JBSM(LPERM).EQ.KBSM) INEW = 0
##############################################
nwchem-7.0.1/src/lucia/lucia1.F-2608- IF(NTEST.NE.0) THEN
nwchem-7.0.1/src/lucia/lucia1.F:2609: WRITE(6,'(A,4I4)') ' Blocks obtained from IASM IBSM IATP IBTP ',
nwchem-7.0.1/src/lucia/lucia1.F-2610- & IASM,IBSM,IATP,IBTP
nwchem-7.0.1/src/lucia/lucia1.F-2611- WRITE(6,*)
nwchem-7.0.1/src/lucia/lucia1.F:2612: WRITE(6,'(A)') ' JASM JBSM JATP JBTP Isgn Itrp '
nwchem-7.0.1/src/lucia/lucia1.F-2613- WRITE(6,*)
##############################################
nwchem-7.0.1/src/lucia/lucia1.F-2799-
nwchem-7.0.1/src/lucia/lucia1.F:2800: WRITE(6,'(A,6I4)') ' IWAY IATP IBTP IASM IBSM IDC ',
nwchem-7.0.1/src/lucia/lucia1.F-2801- & IWAY,IATP,IBTP,IASM,IBSM,IDC
##############################################
nwchem-7.0.1/src/lucia/lucia1.F-2853- IDETF = 1
nwchem-7.0.1/src/lucia/lucia1.F:2854: DO 1000 IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia1.F-2855- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia1.F-3020- IBASE = 1
nwchem-7.0.1/src/lucia/lucia1.F:3021: DO 200 IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia1.F-3022-*
##############################################
nwchem-7.0.1/src/lucia/lucia3.F-372- IF(LUDIA.NE.0) CALL REWINO(LUDIA)
nwchem-7.0.1/src/lucia/lucia3.F:373: DO 1000 IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia3.F-374- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia3.F-2929- IF(NTEST.GE.600) THEN
nwchem-7.0.1/src/lucia/lucia3.F:2930: write(6,*) ' IASM JASM IJSM ',IASM,JASM,IJSM
nwchem-7.0.1/src/lucia/lucia3.F-2931- write(6,*) ' IBSM JBSM KLSM ',IBSM,JBSM,KLSM
##############################################
nwchem-7.0.1/src/lucia/lucia4.F-888- WRITE(6,*)
nwchem-7.0.1/src/lucia/lucia4.F:889: WRITE(6,*) ' IATP IBTP IASM IBSM '
nwchem-7.0.1/src/lucia/lucia4.F-890- WRITE(6,*) IATP,IBTP,IASM,IBSM
##############################################
nwchem-7.0.1/src/lucia/lucia4.F-5417-*
nwchem-7.0.1/src/lucia/lucia4.F:5418: DO IGASM = 1, NSMOB
nwchem-7.0.1/src/lucia/lucia4.F-5419- IABGSM = MULTD2H(IABSM,IGASM)
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-3033- IBTP = IBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/lucia5.F:3034: IASM = IBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/lucia5.F-3035- IBSM = IBLOCK(4,JBLOCK)
nwchem-7.0.1/src/lucia/lucia5.F:3036:C? WRITE(6,*) ' IATP IBTP IASM IBSM ', IATP,IBTP,IASM,IBSM
nwchem-7.0.1/src/lucia/lucia5.F:3037:*. Obtain alpha strings of sym IASM and type IATP
nwchem-7.0.1/src/lucia/lucia5.F-3038- IDUM = 0
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-5912- IF(NTEST.GE.600) THEN
nwchem-7.0.1/src/lucia/lucia5.F:5913: write(6,*) ' IASM JASM IJSM ',IASM,JASM,IJSM
nwchem-7.0.1/src/lucia/lucia5.F-5914- write(6,*) ' IBSM JBSM KLSM ',IBSM,JBSM,KLSM
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-10315- IBTP = IBLOCKL(2,IL)
nwchem-7.0.1/src/lucia/lucia5.F:10316: IASM = IBLOCKL(3,IL)
nwchem-7.0.1/src/lucia/lucia5.F-10317- IBSM = IBLOCKL(4,IL)
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-10319- IF(NTEST.GE.200)
nwchem-7.0.1/src/lucia/lucia5.F:10320: & WRITE(6,*) 'IATP IBTP IASM IBSM',IATP,IBTP,IASM,IBSM
nwchem-7.0.1/src/lucia/lucia5.F-10321- ISCALE = 1
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-10362- JBTP = IBLOCKR(2,IR)
nwchem-7.0.1/src/lucia/lucia5.F:10363: JASM = IBLOCKR(3,IR)
nwchem-7.0.1/src/lucia/lucia5.F-10364- JBSM = IBLOCKR(4,IR)
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-10373- IF(NTEST.GE.2200)
nwchem-7.0.1/src/lucia/lucia5.F:10374: & WRITE(6,'(A,4(2X,I4))') ' JATP JBTP JASM JBSM ',
nwchem-7.0.1/src/lucia/lucia5.F-10375- & JATP,JBTP,JASM,JBSM
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-10383- IBTP = IBLOCKL(2,IL)
nwchem-7.0.1/src/lucia/lucia5.F:10384: IASM = IBLOCKL(3,IL)
nwchem-7.0.1/src/lucia/lucia5.F-10385- IBSM = IBLOCKL(4,IL)
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-10391- DO IPERM = 1, NPERM
nwchem-7.0.1/src/lucia/lucia5.F:10392: IIASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/lucia5.F-10393- IIBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-10463- IBTP = IBLOCKL(2,IL)
nwchem-7.0.1/src/lucia/lucia5.F:10464: IASM = IBLOCKL(3,IL)
nwchem-7.0.1/src/lucia/lucia5.F-10465- IBSM = IBLOCKL(4,IL)
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-10475-C write(6,*) ' Loop 9999 ILPERM = ', ILPERM
nwchem-7.0.1/src/lucia/lucia5.F:10476: IIASM = LASM(ILPERM)
nwchem-7.0.1/src/lucia/lucia5.F-10477- IIBSM = LBSM(ILPERM)
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-10505- JBTP = IBLOCKR(2,IR)
nwchem-7.0.1/src/lucia/lucia5.F:10506: JASM = IBLOCKR(3,IR)
nwchem-7.0.1/src/lucia/lucia5.F-10507- JBSM = IBLOCKR(4,IR)
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-10548- WRITE(6,'(A,4I5)')
nwchem-7.0.1/src/lucia/lucia5.F:10549: & ' L: IIASM IIBSM IIATP IIBTP',
nwchem-7.0.1/src/lucia/lucia5.F-10550- & IIASM,IIBSM,IIATP,IIBTP
nwchem-7.0.1/src/lucia/lucia5.F-10551- WRITE(6,'(A,4I5)')
nwchem-7.0.1/src/lucia/lucia5.F:10552: & ' R: JASM JBSM JATP JBTP ',
nwchem-7.0.1/src/lucia/lucia5.F-10553- & JASM,JBSM,JATP,JBTP
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-10622-*
nwchem-7.0.1/src/lucia/lucia5.F:10623:* Contributions to density matrix from sigma block (iasm iatp, ibsm ibtp ) and
nwchem-7.0.1/src/lucia/lucia5.F:10624:* C block (jasm jatp , jbsm, jbtp)
nwchem-7.0.1/src/lucia/lucia5.F-10625-*
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-11351- IF(NTEST.GE.600) THEN
nwchem-7.0.1/src/lucia/lucia5.F:11352: write(6,*) ' IASM JASM IJSM ',IASM,JASM,IJSM
nwchem-7.0.1/src/lucia/lucia5.F-11353- write(6,*) ' IBSM JBSM KLSM ',IBSM,JBSM,KLSM
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-13157- IF(NTEST.GE.600.and.ga_nodeid().eq.0) THEN
nwchem-7.0.1/src/lucia/lucia5.F:13158: write(6,*) ' IASM JASM IJSM ',IASM,JASM,IJSM
nwchem-7.0.1/src/lucia/lucia5.F-13159- write(6,*) ' IBSM JBSM KLSM ',IBSM,JBSM,KLSM
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-13274-*. For operator connecting to |Ka> and |Ja> i.e. operator 2
nwchem-7.0.1/src/lucia/lucia5.F:13275: KASM = MULTD2H(JASM,IJ_SYM(2) )
nwchem-7.0.1/src/lucia/lucia5.F-13276- NKASTR = NKA_AS(KASM)
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-14408- WRITE(6,*) ' Output from HCONFDIA_BBS'
nwchem-7.0.1/src/lucia/lucia5.F:14409: WRITE(6,*) ' IASM IATP ', IASM,IATP
nwchem-7.0.1/src/lucia/lucia5.F:14410: WRITE(6,*) ' JASM JATP ', JASM,JATP
nwchem-7.0.1/src/lucia/lucia5.F-14411- WRITE(6,*) ' IBSM IBTP ', IBSM,IBTP
##############################################
nwchem-7.0.1/src/lucia/lucia5.F-15533- IF(NTEST.GE.600) THEN
nwchem-7.0.1/src/lucia/lucia5.F:15534: write(6,*) ' IASM JASM IJSM ',IASM,JASM,IJSM
nwchem-7.0.1/src/lucia/lucia5.F-15535- write(6,*) ' IBSM JBSM KLSM ',IBSM,JBSM,KLSM
##############################################
nwchem-7.0.1/src/lucia/lucia6.F-975-*
nwchem-7.0.1/src/lucia/lucia6.F:976: IASM = IAVE_SYM(I_AVE_OP)
nwchem-7.0.1/src/lucia/lucia6.F:977:C? WRITE(6,*) ' IASM = ', IASM
nwchem-7.0.1/src/lucia/lucia6.F-978-*
##############################################
nwchem-7.0.1/src/lucia/lucia_akbk.F-1414- IBTP = IBLKFO(2,IBLK)
nwchem-7.0.1/src/lucia/lucia_akbk.F:1415: IASM = IBLKFO(3,IBLK)
nwchem-7.0.1/src/lucia/lucia_akbk.F-1416- IBSM = IBLKFO(4,IBLK)
##############################################
nwchem-7.0.1/src/lucia/lucia_akbk.F-8182- JBTP = ibats(2,iblk)
nwchem-7.0.1/src/lucia/lucia_akbk.F:8183: JASM = ibats(3,iblk)
nwchem-7.0.1/src/lucia/lucia_akbk.F-8184- JBSM = ibats(4,iblk)
##############################################
nwchem-7.0.1/src/lucia/lucia_akbk.F-8194-! DO IPERM = 1, NPERM
nwchem-7.0.1/src/lucia/lucia_akbk.F:8195:! LLASM = LASM(IPERM)
nwchem-7.0.1/src/lucia/lucia_akbk.F-8196-! LLBSM = LBSM(IPERM)
##############################################
nwchem-7.0.1/src/lucia/lucia_akbk.F-8209- IBTP = ibats(2,jblk)
nwchem-7.0.1/src/lucia/lucia_akbk.F:8210: IASM = ibats(3,jblk)
nwchem-7.0.1/src/lucia/lucia_akbk.F-8211- IBSM = ibats(4,jblk)
##############################################
nwchem-7.0.1/src/lucia/lucia_akbk.F-8608- IBTP = ibats(2,II)
nwchem-7.0.1/src/lucia/lucia_akbk.F:8609: IASM = ibats(3,II)
nwchem-7.0.1/src/lucia/lucia_akbk.F-8610- IBSM = ibats(4,II)
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-3212- IBTP = IBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/lucia_csf.F:3213: IASM = IBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/lucia_csf.F-3214- IBSM = IBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-3230-C CONF_GRAPH(IOCC_MIN,IOCC_MAX,NORB,NEL,IARCW,NCONF,ISCR)
nwchem-7.0.1/src/lucia/lucia_csf.F:3231:*. Obtain alpha strings of sym IASM and type IATP
nwchem-7.0.1/src/lucia/lucia_csf.F-3232- IDUM = 0
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-8955- IBTP = IABSPGP_FOR_OCCLS(2,I_AB)
nwchem-7.0.1/src/lucia/lucia_csf.F:8956: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_csf.F-8957- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-8966-*
nwchem-7.0.1/src/lucia/lucia_csf.F:8967:*. Obtain alpha strings of sym IASM and type IATP
nwchem-7.0.1/src/lucia/lucia_csf.F-8968-*
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-11731- & WRITE(6,*) ' IAB, IA, IB = ', IAB, IA, IB
nwchem-7.0.1/src/lucia/lucia_csf.F:11732: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_csf.F-11733- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-11752- IF(NTEST.GE.10000) THEN
nwchem-7.0.1/src/lucia/lucia_csf.F:11753: WRITE(6,*) ' NBLK, IA, IB, IASM = ',
nwchem-7.0.1/src/lucia/lucia_csf.F-11754- & NBLK, IA, IB, IASM
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-14229- IBTP = IABSPGP_FOR_OCCLS(2,I_AB)
nwchem-7.0.1/src/lucia/lucia_csf.F:14230: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_csf.F-14231- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-14240-*
nwchem-7.0.1/src/lucia/lucia_csf.F:14241:*. Obtain alpha strings of sym IASM and type IATP
nwchem-7.0.1/src/lucia/lucia_csf.F-14242-*
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-14764- IPDET = 0
nwchem-7.0.1/src/lucia/lucia_csf.F:14765: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_csf.F-14766- DO IBSM = 1, NSMST
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-14854- ILDET = 0
nwchem-7.0.1/src/lucia/lucia_csf.F:14855: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_csf.F-14856- DO IBSM = 1, NSMST
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-14952- IB = 0
nwchem-7.0.1/src/lucia/lucia_csf.F:14953: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_csf.F-14954- IBSM = ISMOST(IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-14989- IF(NTEST.GE.1000) THEN
nwchem-7.0.1/src/lucia/lucia_csf.F:14990: WRITE(6,*) ' IASM IAPSM IALSM = ',
nwchem-7.0.1/src/lucia/lucia_csf.F-14991- & IASM,IAPSM,IALSM
##############################################
nwchem-7.0.1/src/lucia/lucia_csf.F-15878- ISYM = 0
nwchem-7.0.1/src/lucia/lucia_csf.F:15879: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_csf.F-15880-*
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-415- LEN = 0
nwchem-7.0.1/src/lucia/lucia_gencc.F:416: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_gencc.F-417- IBSM = MULTD2H(ISM,IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-430-*. Each block is lower triangular, expand to complete block
nwchem-7.0.1/src/lucia/lucia_gencc.F:431: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_gencc.F-432- NSTR = NASTR(IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-441- IOFF_PCK = 1
nwchem-7.0.1/src/lucia/lucia_gencc.F:442: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_gencc.F-443- IBSM = MULTD2H(IASM,ISM)
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-459- JOFF_PCK = 1
nwchem-7.0.1/src/lucia/lucia_gencc.F:460: DO JASM = 1, IBSM-1
nwchem-7.0.1/src/lucia/lucia_gencc.F-461- JBSM = MULTD2H(ISM,JASM)
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-511- DO IBSM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_gencc.F:512: IASM = MULTD2H(ISM,IBSM)
nwchem-7.0.1/src/lucia/lucia_gencc.F-513- IOUT_OFF(IBSM) = IOFF
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-517- IOFF_IN = 1
nwchem-7.0.1/src/lucia/lucia_gencc.F:518: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_gencc.F-519- IBSM = MULTD2H(IASM,ISM)
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-5873-* IRESTRICT = 0 : No restrictions of symmetry blocks
nwchem-7.0.1/src/lucia/lucia_gencc.F:5874:* = 1 : Only blocks with ASM .GE. BSM are included
nwchem-7.0.1/src/lucia/lucia_gencc.F:5875:* =-1 : Only blocks with ASM .LT. BSM are included
nwchem-7.0.1/src/lucia/lucia_gencc.F-5876- INCLUDE 'implicit.inc'
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-5884- IB = 1
nwchem-7.0.1/src/lucia/lucia_gencc.F:5885: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_gencc.F-5886- IBSM = MULTD2H(IASM,ITOTSM)
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-6855-*. Loop over symmetry-blocks of C and Sigma
nwchem-7.0.1/src/lucia/lucia_gencc.F:6856: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_gencc.F-6857- IBSM = MULTD2H(ISSM,IASM)
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-6863- IF(IS_INCLUDED.EQ.1) THEN
nwchem-7.0.1/src/lucia/lucia_gencc.F:6864: DO JASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_gencc.F-6865- JBSM = MULTD2H(ICSM,JASM)
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-6873- & ' IASM, IBSM, JASM, JBSM ', IASM,IBSM,JASM,JBSM
nwchem-7.0.1/src/lucia/lucia_gencc.F:6874: DO KASM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_gencc.F-6875-*
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-7714- ISBTP = IBATS(2,ISBLK)
nwchem-7.0.1/src/lucia/lucia_gencc.F:7715: ISASM = IBATS(3,ISBLK)
nwchem-7.0.1/src/lucia/lucia_gencc.F-7716- ISBSM = IBATS(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-8284- DO JBLK = ICBLK, ICBLK -1 + NCBLK
nwchem-7.0.1/src/lucia/lucia_gencc.F:8285: JASM = ICBLOCK(3,JBLK)
nwchem-7.0.1/src/lucia/lucia_gencc.F-8286- JBSM = ICBLOCK(4,JBLK)
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc.F-10040- IBTP = IBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/lucia_gencc.F:10041: IASM = IBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/lucia_gencc.F-10042- IBSM = IBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/lucia_gencc2.F-1429- IF(ICIBLK(1,JCIBLK).EQ.IATP.AND.ICIBLK(2,JCIBLK).EQ.IBTP) THEN
nwchem-7.0.1/src/lucia/lucia_gencc2.F:1430: IASM = ICIBLK(3,JCIBLK)
nwchem-7.0.1/src/lucia/lucia_gencc2.F-1431- IOFF = ICIBLK(5,JCIBLK)
##############################################
nwchem-7.0.1/src/lucia/lucia_ic.F-1250- IBTP = 1
nwchem-7.0.1/src/lucia/lucia_ic.F:1251: IASM = 0
nwchem-7.0.1/src/lucia/lucia_ic.F-1252- 1000 CONTINUE
##############################################
nwchem-7.0.1/src/lucia/lucia_ic.F-1344- DO ICSM = 1, NSMST
nwchem-7.0.1/src/lucia/lucia_ic.F:1345: IASM = MULTD2H(IOPSM,ICSM)
nwchem-7.0.1/src/lucia/lucia_ic.F-1346- NC = NCOC_FSM(ICSM)
##############################################
nwchem-7.0.1/src/lucia/lucia_supsym.F-1329-*. Standard symmetry
nwchem-7.0.1/src/lucia/lucia_supsym.F:1330: ISTASM = ISTASM_FOR_GENSM(IGENSM)
nwchem-7.0.1/src/lucia/lucia_supsym.F-1331- IB_STA_ORB = ITOOBS(ISTASM)
##############################################
nwchem-7.0.1/src/lucia/lucia_supsym.F-1333- IF(NTEST.GE.1000) THEN
nwchem-7.0.1/src/lucia/lucia_supsym.F:1334: WRITE(6,*) ' IGENSM, ISTASM = ', IGENSM, ISTASM
nwchem-7.0.1/src/lucia/lucia_supsym.F-1335- END IF
nwchem-7.0.1/src/lucia/lucia_supsym.F-1336- IB_STA_MAT = 1
nwchem-7.0.1/src/lucia/lucia_supsym.F:1337: DO JSTASM = 1, ISTASM-1
nwchem-7.0.1/src/lucia/lucia_supsym.F-1338- N = NTOOBS(JSTASM)
##############################################
nwchem-7.0.1/src/lucia/luciaw.F-164- IBTP = IBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/luciaw.F:165: IASM = IBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/luciaw.F-166- IBSM = IBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/luciaw.F-171-*
nwchem-7.0.1/src/lucia/luciaw.F:172:*. Obtain alpha strings of sym IASM and type IATP
nwchem-7.0.1/src/lucia/luciaw.F-173- IDUM = 0
##############################################
nwchem-7.0.1/src/lucia/luciaw.F-437- IBTP = IBLOCK(2,JBLOCK)
nwchem-7.0.1/src/lucia/luciaw.F:438: IASM = IBLOCK(3,JBLOCK)
nwchem-7.0.1/src/lucia/luciaw.F-439- IBSM = IBLOCK(4,JBLOCK)
##############################################
nwchem-7.0.1/src/lucia/luciaw.F-444-*
nwchem-7.0.1/src/lucia/luciaw.F:445:*. Obtain alpha strings of sym IASM and type IATP
nwchem-7.0.1/src/lucia/luciaw.F-446- IDUM = 0
##############################################
nwchem-7.0.1/src/lucia/rsbb2b_m.F-17- IOFF = 1
nwchem-7.0.1/src/lucia/rsbb2b_m.F:18: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/rsbb2b_m.F-19- IBSM = MULTD2H(IASM,ISM)
##############################################
nwchem-7.0.1/src/lucia/rsbb2ben.F-69- LEN = 0
nwchem-7.0.1/src/lucia/rsbb2ben.F:70: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/rsbb2ben.F-71- IBSM = MULTD2H(IASM,ISM)
##############################################
nwchem-7.0.1/src/lucia/rsbb2ben.F-118- IF(NTEST.GE.100) THEN
nwchem-7.0.1/src/lucia/rsbb2ben.F:119: WRITE(6,*) ' Offset array for C(P,Ka,j,Jba), Kasm= ', KASM
nwchem-7.0.1/src/lucia/rsbb2ben.F-120- CALL IWRTMA(IOFFA,NSMST,NSMST,20,20)
##############################################
nwchem-7.0.1/src/lucia/rsbb2ben.F-196- IOFF = 1
nwchem-7.0.1/src/lucia/rsbb2ben.F:197: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/rsbb2ben.F-198- IBCPA(IASM) = IOFF
##############################################
nwchem-7.0.1/src/lucia/rsbb2ben.F-363- IOFF = 1
nwchem-7.0.1/src/lucia/rsbb2ben.F:364: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/rsbb2ben.F-365- IBCPA(IASM) = IOFF
##############################################
nwchem-7.0.1/src/lucia/rsbb2ben.F-381-C I12ORD = 1
nwchem-7.0.1/src/lucia/rsbb2ben.F:382: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/rsbb2ben.F-383- IBSM = MULTD2H(IASM,ICSM)
##############################################
nwchem-7.0.1/src/lucia/rsbb2ben.F-858- DO JLSM = 1, NSMST
nwchem-7.0.1/src/lucia/rsbb2ben.F:859: IPASM = MULTD2H(JLSM,ICSM)
nwchem-7.0.1/src/lucia/rsbb2ben.F-860- IKSM = MULTD2H(IPASM,ISSM)
##############################################
nwchem-7.0.1/src/lucia/rsbb2ben.F-1023-*
nwchem-7.0.1/src/lucia/rsbb2ben.F:1024: DO KASM = 1, NSMST
nwchem-7.0.1/src/lucia/rsbb2ben.F-1025- DO KBSM = 1, NSMST
##############################################
nwchem-7.0.1/src/lucia/rsbb2ben.F-1439-*
nwchem-7.0.1/src/lucia/rsbb2ben.F:1440: JASM = MULTD2H(KASM,JSM)
nwchem-7.0.1/src/lucia/rsbb2ben.F-1441- JBSM = MULTD2H(KBSM,LSM)
##############################################
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F-239-*. Loop over symmetries of Ka-strings
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F:240: DO 1940 KASM = 1, NSMST
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F-241-C NKA = NKA_MS(KASM)
##############################################
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F-246- DO IOPSM = 1, NSMST
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F:247: IJASM = MULTD2H(KASM,IOPSM)
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F-248-*. The folowing are not active ..
##############################################
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F-391-*
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F:392: JASM = MULTD2H(KASM,JSM)
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F:393: IASM = MULTD2H(KASM,ISM)
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F-394- JBSM = MULTD2H(KBSM,LSM)
##############################################
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F-692- WRITE(6,*) ' ========================'
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F:693: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/rsbb2bn_ms.F-694- IBSM = MULTD2H(IASM,ISSM)
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1235- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1236: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1237- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1238-0 1 0.1642341814103961E+00
nwchem-7.0.1/src/lucia/testcase-O3.output:1239: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1240- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1249- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1250: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1251- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1252-0 1 0.1642342E+00
nwchem-7.0.1/src/lucia/testcase-O3.output:1253: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1254- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1265- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1266: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1267- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1268-0 1 0.1642342E+00
nwchem-7.0.1/src/lucia/testcase-O3.output:1269: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1270- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1277- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1278: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1279- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1280-0 1 0.1642342E+00
nwchem-7.0.1/src/lucia/testcase-O3.output:1281: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1282- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1396- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1397: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1398- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1399-0 1 -0.2056435137829189E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:1400: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1401- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1410- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1411: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1412- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1413-0 1 -.2056435E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:1414: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1415- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1426- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1427: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1428- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1429-0 1 -.2056435E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:1430: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1431- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1438- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1439: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1440- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1441-0 1 -.2056435E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:1442: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1443- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1557- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1558: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1559- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1560-0 1 -0.1131902454649470E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:1561: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1562- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1571- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1572: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1573- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1574-0 1 -.1131902E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:1575: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1576- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1587- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1588: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1589- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1590-0 1 -.1131902E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:1591: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1592- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1599- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1600: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1601- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1602-0 1 -.1131902E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:1603: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1604- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1718- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1719: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1720- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1721-0 1 -0.8774895988604446E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:1722: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1723- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1732- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1733: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1734- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1735-0 1 -.8774896E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:1736: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1737- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1748- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1749: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1750- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1751-0 1 -.8774896E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:1752: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1753- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1760- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1761: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1762- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1763-0 1 -.8774896E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:1764: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1765- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1948- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1949: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1950- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1951-0 1 0.7572152781710898E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:1952: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1953- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1962- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1963: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1964- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1965-0 1 0.7572153E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:1966: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1967- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1978- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1979: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1980- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1981-0 1 0.7572153E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:1982: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1983- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-1990- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:1991: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1992- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-1993-0 1 0.7572153E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:1994: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-1995- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2109- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2110: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2111- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2112-0 1 -0.1470422001557816E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:2113: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2114- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2123- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2124: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2125- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2126-0 1 -.1470422E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:2127: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2128- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2139- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2140: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2141- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2142-0 1 -.1470422E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:2143: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2144- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2151- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2152: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2153- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2154-0 1 -.1470422E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:2155: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2156- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2270- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2271: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2272- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2273-0 1 0.6011553147157795E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:2274: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2275- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2284- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2285: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2286- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2287-0 1 0.6011553E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:2288: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2289- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2300- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2301: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2302- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2303-0 1 0.6011553E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:2304: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2305- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2312- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2313: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2314- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2315-0 1 0.6011553E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:2316: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2317- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2431- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2432: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2433- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2434-0 1 -0.1383463556453473E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:2435: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2436- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2445- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2446: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2447- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2448-0 1 -.1383464E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:2449: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2450- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2461- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2462: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2463- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2464-0 1 -.1383464E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:2465: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2466- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2473- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2474: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2475- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2476-0 1 -.1383464E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:2477: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2478- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2661- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2662: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2663- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2664-0 1 0.8854582300039594E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:2665: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2666- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2675- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2676: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2677- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2678-0 1 0.8854582E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:2679: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2680- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2691- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2692: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2693- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2694-0 1 0.8854582E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:2695: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2696- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2703- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2704: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2705- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2706-0 1 0.8854582E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:2707: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2708- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2822- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2823: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2824- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2825-0 1 -0.1338355565051073E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:2826: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2827- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2836- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2837: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2838- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2839-0 1 -.1338356E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:2840: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2841- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2852- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2853: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2854- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2855-0 1 -.1338356E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:2856: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2857- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2864- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2865: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2866- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2867-0 1 -.1338356E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:2868: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2869- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2983- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2984: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2985- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-2986-0 1 0.5659843304836173E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:2987: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2988- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-2997- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:2998: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-2999- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3000-0 1 0.5659843E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:3001: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3002- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3013- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3014: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3015- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3016-0 1 0.5659843E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:3017: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3018- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3025- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3026: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3027- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3028-0 1 0.5659843E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:3029: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3030- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3144- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3145: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3146- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3147-0 1 -0.1454794034141053E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:3148: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3149- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3158- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3159: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3160- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3161-0 1 -.1454794E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:3162: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3163- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3174- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3175: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3176- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3177-0 1 -.1454794E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:3178: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3179- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3186- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3187: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3188- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3189-0 1 -.1454794E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:3190: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3191- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3374- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3375: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3376- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3377-0 1 0.9445685342170950E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:3378: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3379- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3388- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3389: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3390- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3391-0 1 0.9445685E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:3392: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3393- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3404- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3405: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3406- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3407-0 1 0.9445685E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:3408: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3409- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3416- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3417: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3418- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3419-0 1 0.9445685E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:3420: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3421- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3535- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3536: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3537- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3538-0 1 -0.1301375823939407E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:3539: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3540- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3549- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3550: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3551- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3552-0 1 -.1301376E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:3553: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3554- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3565- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3566: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3567- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3568-0 1 -.1301376E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:3569: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3570- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3577- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3578: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3579- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3580-0 1 -.1301376E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:3581: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3582- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3696- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3697: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3698- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3699-0 1 0.5929617049521082E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:3700: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3701- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3710- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3711: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3712- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3713-0 1 0.5929617E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:3714: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3715- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3726- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3727: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3728- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3729-0 1 0.5929617E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:3730: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3731- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3738- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3739: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3740- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3741-0 1 0.5929617E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:3742: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3743- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3857- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3858: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3859- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3860-0 1 -0.1440486636782620E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:3861: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3862- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3871- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3872: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3873- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3874-0 1 -.1440487E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:3875: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3876- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3887- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3888: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3889- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3890-0 1 -.1440487E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:3891: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3892- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-3899- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:3900: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3901- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-3902-0 1 -.1440487E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:3903: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-3904- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4087- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4088: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4089- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4090-0 1 0.9710438105079645E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:4091: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4092- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4101- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4102: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4103- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4104-0 1 0.9710438E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:4105: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4106- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4117- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4118: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4119- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4120-0 1 0.9710438E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:4121: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4122- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4129- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4130: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4131- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4132-0 1 0.9710438E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:4133: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4134- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4248- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4249: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4250- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4251-0 1 -0.1303418752614942E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:4252: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4253- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4262- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4263: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4264- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4265-0 1 -.1303419E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:4266: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4267- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4278- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4279: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4280- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4281-0 1 -.1303419E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:4282: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4283- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4290- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4291: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4292- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4293-0 1 -.1303419E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:4294: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4295- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4409- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4410: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4411- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4412-0 1 0.6072375239551408E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:4413: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4414- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4423- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4424: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4425- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4426-0 1 0.6072375E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:4427: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4428- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4439- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4440: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4441- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4442-0 1 0.6072375E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:4443: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4444- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4451- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4452: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4453- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4454-0 1 0.6072375E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:4455: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4456- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4570- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4571: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4572- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4573-0 1 -0.1414920728643588E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:4574: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4575- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4584- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4585: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4586- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4587-0 1 -.1414921E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:4588: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4589- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4600- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4601: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4602- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4603-0 1 -.1414921E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:4604: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4605- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4612- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4613: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4614- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4615-0 1 -.1414921E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:4616: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4617- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4800- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4801: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4802- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4803-0 1 0.9829636887666450E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:4804: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4805- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4814- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4815: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4816- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4817-0 1 0.9829637E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:4818: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4819- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4830- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4831: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4832- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4833-0 1 0.9829637E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:4834: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4835- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4842- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4843: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4844- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4845-0 1 0.9829637E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:4846: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4847- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4961- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4962: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4963- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4964-0 1 -0.1306740988334172E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:4965: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4966- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4975- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4976: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4977- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4978-0 1 -.1306741E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:4979: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4980- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-4991- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:4992: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4993- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-4994-0 1 -.1306741E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:4995: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-4996- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5003- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5004: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5005- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5006-0 1 -.1306741E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:5007: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5008- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5122- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5123: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5124- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5125-0 1 0.6125455255778834E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:5126: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5127- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5136- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5137: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5138- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5139-0 1 0.6125455E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:5140: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5141- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5152- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5153: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5154- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5155-0 1 0.6125455E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:5156: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5157- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5164- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5165: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5166- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5167-0 1 0.6125455E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:5168: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5169- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5283- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5284: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5285- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5286-0 1 -0.1401298417394927E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:5287: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5288- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5297- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5298: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5299- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5300-0 1 -.1401298E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:5301: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5302- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5313- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5314: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5315- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5316-0 1 -.1401298E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:5317: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5318- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5325- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5326: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5327- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5328-0 1 -.1401298E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:5329: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5330- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5513- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5514: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5515- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5516-0 1 0.9882620384445467E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:5517: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5518- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5527- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5528: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5529- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5530-0 1 0.9882620E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:5531: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5532- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5543- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5544: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5545- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5546-0 1 0.9882620E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:5547: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5548- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5555- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5556: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5557- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5558-0 1 0.9882620E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:5559: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5560- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5674- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5675: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5676- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5677-0 1 -0.1308526477876955E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:5678: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5679- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5688- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5689: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5690- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5691-0 1 -.1308526E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:5692: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5693- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5704- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5705: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5706- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5707-0 1 -.1308526E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:5708: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5709- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5716- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5717: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5718- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5719-0 1 -.1308526E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:5720: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5721- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5835- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5836: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5837- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5838-0 1 0.6145855516865110E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:5839: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5840- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5849- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5850: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5851- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5852-0 1 0.6145856E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:5853: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5854- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5865- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5866: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5867- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5868-0 1 0.6145856E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:5869: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5870- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5877- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5878: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5879- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5880-0 1 0.6145856E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:5881: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5882- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-5996- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:5997: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-5998- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-5999-0 1 -0.1395009889129027E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:6000: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6001- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6010- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6011: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6012- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6013-0 1 -.1395010E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:6014: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6015- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6026- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6027: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6028- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6029-0 1 -.1395010E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:6030: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6031- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6038- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6039: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6040- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6041-0 1 -.1395010E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:6042: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6043- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6226- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6227: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6228- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6229-0 1 0.9905987747469239E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:6230: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6231- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6240- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6241: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6242- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6243-0 1 0.9905988E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:6244: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6245- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6256- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6257: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6258- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6259-0 1 0.9905988E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:6260: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6261- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6268- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6269: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6270- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6271-0 1 0.9905988E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:6272: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6273- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6387- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6388: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6389- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6390-0 1 -0.1309358587756746E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:6391: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6392- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6401- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6402: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6403- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6404-0 1 -.1309359E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:6405: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6406- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6417- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6418: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6419- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6420-0 1 -.1309359E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:6421: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6422- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6429- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6430: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6431- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6432-0 1 -.1309359E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:6433: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6434- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6548- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6549: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6550- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6551-0 1 0.6154178768008549E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:6552: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6553- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6562- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6563: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6564- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6565-0 1 0.6154179E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:6566: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6567- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6578- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6579: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6580- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6581-0 1 0.6154179E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:6582: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6583- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6590- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6591: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6592- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6593-0 1 0.6154179E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:6594: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6595- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6709- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6710: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6711- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6712-0 1 -0.1392207099415534E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:6713: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6714- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6723- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6724: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6725- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6726-0 1 -.1392207E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:6727: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6728- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6739- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6740: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6741- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6742-0 1 -.1392207E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:6743: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6744- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6751- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6752: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6753- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6754-0 1 -.1392207E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:6755: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6756- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6939- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6940: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6941- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6942-0 1 0.9916254406944496E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:6943: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6944- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6953- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6954: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6955- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6956-0 1 0.9916254E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:6957: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6958- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6969- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6970: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6971- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6972-0 1 0.9916254E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:6973: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6974- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-6981- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:6982: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6983- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-6984-0 1 0.9916254E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:6985: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-6986- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7100- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7101: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7102- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7103-0 1 -0.1309731171177599E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:7104: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7105- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7114- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7115: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7116- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7117-0 1 -.1309731E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:7118: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7119- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7130- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7131: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7132- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7133-0 1 -.1309731E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:7134: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7135- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7142- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7143: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7144- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7145-0 1 -.1309731E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:7146: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7147- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7261- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7262: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7263- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7264-0 1 0.6157702308069634E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:7265: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7266- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7275- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7276: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7277- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7278-0 1 0.6157702E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:7279: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7280- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7291- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7292: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7293- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7294-0 1 0.6157702E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:7295: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7296- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7303- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7304: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7305- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7306-0 1 0.6157702E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:7307: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7308- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7422- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7423: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7424- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7425-0 1 -0.1390971642643048E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:7426: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7427- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7436- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7437: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7438- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7439-0 1 -.1390972E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:7440: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7441- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7452- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7453: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7454- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7455-0 1 -.1390972E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:7456: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7457- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7464- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7465: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7466- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7467-0 1 -.1390972E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:7468: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7469- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7652- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7653: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7654- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7655-0 1 0.9920757367820882E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:7656: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7657- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7666- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7667: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7668- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7669-0 1 0.9920757E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:7670: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7671- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7682- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7683: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7684- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7685-0 1 0.9920757E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:7686: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7687- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7694- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7695: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7696- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7697-0 1 0.9920757E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:7698: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7699- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7813- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7814: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7815- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7816-0 1 -0.1309895742533784E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:7817: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7818- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7827- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7828: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7829- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7830-0 1 -.1309896E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:7831: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7832- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7843- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7844: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7845- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7846-0 1 -.1309896E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:7847: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7848- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7855- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7856: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7857- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7858-0 1 -.1309896E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:7859: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7860- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7974- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7975: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7976- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7977-0 1 0.6159221836496616E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:7978: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7979- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-7988- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:7989: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7990- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-7991-0 1 0.6159222E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:7992: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-7993- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8004- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8005: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8006- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8007-0 1 0.6159222E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:8008: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8009- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8016- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8017: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8018- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8019-0 1 0.6159222E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:8020: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8021- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8135- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8136: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8137- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8138-0 1 -0.1390429182265279E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:8139: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8140- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8149- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8150: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8151- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8152-0 1 -.1390429E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:8153: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8154- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8165- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8166: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8167- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8168-0 1 -.1390429E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:8169: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8170- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8177- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8178: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8179- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8180-0 1 -.1390429E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:8181: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8182- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8365- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8366: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8367- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8368-0 1 0.9922730851328802E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:8369: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8370- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8379- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8380: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8381- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8382-0 1 0.9922731E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:8383: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8384- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8395- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8396: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8397- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8398-0 1 0.9922731E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:8399: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8400- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8407- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8408: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8409- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8410-0 1 0.9922731E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:8411: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8412- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8526- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8527: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8528- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8529-0 1 -0.1309968068074805E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:8530: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8531- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8540- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8541: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8542- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8543-0 1 -.1309968E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:8544: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8545- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8556- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8557: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8558- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8559-0 1 -.1309968E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:8560: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8561- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8568- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8569: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8570- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8571-0 1 -.1309968E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:8572: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8573- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8687- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8688: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8689- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8690-0 1 0.6159882812071482E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:8691: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8692- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8701- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8702: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8703- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8704-0 1 0.6159883E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:8705: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8706- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8717- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8718: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8719- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8720-0 1 0.6159883E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:8721: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8722- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8729- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8730: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8731- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8732-0 1 0.6159883E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:8733: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8734- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8848- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8849: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8850- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8851-0 1 -0.1390191349540812E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:8852: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8853- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8862- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8863: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8864- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8865-0 1 -.1390191E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:8866: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8867- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8878- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8879: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8880- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8881-0 1 -.1390191E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:8882: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8883- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-8890- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:8891: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8892- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-8893-0 1 -.1390191E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:8894: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-8895- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9074- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:9075: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9076- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-9077-0 1 0.9923594971176281E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:9078: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9079- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9088- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:9089: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9090- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-9091-0 1 0.9923595E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:9092: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9093- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9104- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:9105: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9106- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-9107-0 1 0.9923595E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:9108: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9109- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9116- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:9117: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9118- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-9119-0 1 0.9923595E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:9120: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9121- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9530- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:9531: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9532- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-9533-0 1 0.9923594971176281E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:9534: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9535- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9537-0 2 -0.3478490069575235E+02 0.7547810038841642E+01
nwchem-7.0.1/src/lucia/testcase-O3.output:9538: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9539- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9544-0 5 -0.4272996595922388E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:9545: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9546- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9557- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:9558: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9559- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-9560-0 1 0.9923595E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:9561: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9562- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9564-0 2 -.3478490E+02 0.7547810E+01
nwchem-7.0.1/src/lucia/testcase-O3.output:9565: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9566- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9571-0 5 -0.4272996595922388E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:9572: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9573- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9586- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:9587: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9588- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-9589-0 1 0.9923595E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:9590: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9591- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9593-0 2 -.3478490E+02 0.7547810E+01
nwchem-7.0.1/src/lucia/testcase-O3.output:9594: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9595- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9600-0 5 -0.4272996595922388E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:9601: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9602- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9611- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:9612: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9613- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-9614-0 1 0.9923595E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:9615: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9616- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9618-0 2 -.4919328E+02 0.7547810E+01
nwchem-7.0.1/src/lucia/testcase-O3.output:9619: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9620- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9625-0 5 -0.6042929737927508E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:9626: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9627- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9649- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:9650: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-9651- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9668- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:9669: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-9670- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9685- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:9686: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-9687- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9698- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:9699: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-9700- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9724- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:9725: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-9726- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9734-
nwchem-7.0.1/src/lucia/testcase-O3.output:9735: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9736- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-9737-0 1 -0.4167844458743830E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:9738: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9739- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9748- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:9749: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-9750- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9754-0 4 -.6630160E-02 0.5390922E-02 -.4757153E-02 -.1464061E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:9755: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9756- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-9757-0 1 -0.4167844458743830E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:9758: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9759- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9770- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:9771: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-9772- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9776-0 4 -.6630160E-02 0.5390922E-02 -.4757153E-02 -.1464061E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:9777: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9778- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-9779-0 1 -0.4167844458743830E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:9780: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9781- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9788- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:9789: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-9790- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-9794-0 4 -.9376462E-02 0.7623914E-02 -.6727630E-02 -.1464061E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:9795: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9796- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-9797-0 1 -0.5894222159417076E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:9798: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-9799- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10278- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:10279: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10280- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-10281-0 1 -0.7253119476141118E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:10282: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10283- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10292- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:10293: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10294- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-10295-0 1 -.7253119E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:10296: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10297- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10308- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:10309: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10310- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-10311-0 1 -.7253119E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:10312: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10313- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10320- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:10321: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10322- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-10323-0 1 -.7253119E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:10324: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10325- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10682- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:10683: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10684- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-10685-0 1 0.9923594971176281E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:10686: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10687- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10696- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:10697: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10698- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-10699-0 1 0.9923595E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:10700: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10701- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10712- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:10713: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10714- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-10715-0 1 0.9923595E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:10716: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10717- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10724- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:10725: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10726- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-10727-0 1 0.9923595E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:10728: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10729- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10942- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:10943: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10944- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-10945-0 1 0.3679294724145171E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:10946: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10947- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10949-0 2 -0.8980289408087856E+02 -0.1750565802855438E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:10950: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10951- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10956-0 5 0.8630217882602637E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:10957: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10958- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10969- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:10970: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10971- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-10972-0 1 0.3679295E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:10973: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10974- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10976-0 2 -.8980289E+02 -.1750566E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:10977: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10978- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10983-0 5 0.8630217882602637E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:10984: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-10985- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-10998- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:10999: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11000- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-11001-0 1 0.3679295E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:11002: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11003- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11005-0 2 -.8980289E+02 -.1750566E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:11006: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11007- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11012-0 5 0.8630217882602637E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:11013: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11014- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11023- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:11024: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11025- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-11026-0 1 0.3679295E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:11027: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11028- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11030-0 2 -.1270005E+03 -.1750566E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:11031: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11032- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11037-0 5 0.1220497117581146E+00
nwchem-7.0.1/src/lucia/testcase-O3.output:11038: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11039- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11061- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:11062: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-11063- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11080- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:11081: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-11082- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11097- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:11098: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-11099- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11110- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:11111: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-11112- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11136- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:11137: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-11138- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11146-
nwchem-7.0.1/src/lucia/testcase-O3.output:11147: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11148- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-11149-0 1 -0.1541489368202972E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:11150: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11151- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11160- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:11161: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-11162- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11166-0 4 0.1674087E-01 -.2727383E-01 0.2515660E-01 0.5690015E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:11167: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11168- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-11169-0 1 -0.1541489368202972E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:11170: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11171- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11182- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:11183: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-11184- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11188-0 4 0.1674087E-01 -.2727383E-01 0.2515660E-01 0.5690015E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:11189: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11190- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-11191-0 1 -0.1541489368202972E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:11192: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11193- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11200- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:11201: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-11202- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11206-0 4 0.2367516E-01 -.3857102E-01 0.3557681E-01 0.5690015E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:11207: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11208- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-11209-0 1 -0.2179995170766576E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:11210: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11211- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11690- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:11691: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11692- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-11693-0 1 -0.1218234358800755E-03
nwchem-7.0.1/src/lucia/testcase-O3.output:11694: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11695- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11704- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:11705: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11706- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-11707-0 1 -.1218234E-03
nwchem-7.0.1/src/lucia/testcase-O3.output:11708: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11709- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11720- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:11721: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11722- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-11723-0 1 -.1218234E-03
nwchem-7.0.1/src/lucia/testcase-O3.output:11724: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11725- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-11732- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:11733: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11734- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-11735-0 1 -.1218234E-03
nwchem-7.0.1/src/lucia/testcase-O3.output:11736: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-11737- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12094- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:12095: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12096- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-12097-0 1 0.3679294724145171E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:12098: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12099- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12108- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:12109: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12110- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-12111-0 1 0.3679295E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:12112: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12113- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12124- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:12125: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12126- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-12127-0 1 0.3679295E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:12128: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12129- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12136- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:12137: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12138- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-12139-0 1 0.3679295E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:12140: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12141- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12354- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:12355: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12356- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-12357-0 1 0.1932676786455499E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:12358: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12359- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12361-0 2 0.8940162746539212E+01 0.5524774571268173E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:12362: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12363- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12368-0 5 -0.1965139034121087E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:12369: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12370- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12381- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:12382: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12383- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-12384-0 1 0.1932677E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:12385: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12386- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12388-0 2 0.8940163E+01 0.5524775E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:12389: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12390- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12395-0 5 -0.1965139034121087E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:12396: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12397- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12410- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:12411: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12412- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-12413-0 1 0.1932677E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:12414: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12415- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12417-0 2 0.8940163E+01 0.5524775E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:12418: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12419- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12424-0 5 -0.1965139034121087E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:12425: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12426- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12435- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:12436: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12437- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-12438-0 1 0.1932677E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:12439: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12440- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12442-0 2 0.1264330E+02 0.5524775E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:12443: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12444- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12449-0 5 -0.2779126274002806E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:12450: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12451- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12473- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:12474: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-12475- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12492- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:12493: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-12494- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12509- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:12510: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-12511- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12522- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:12523: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-12524- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12548- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:12549: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-12550- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12558-
nwchem-7.0.1/src/lucia/testcase-O3.output:12559: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12560- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-12561-0 1 -0.8139522490403854E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:12562: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12563- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12572- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:12573: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-12574- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12578-0 4 -.8278449E-02 0.1076296E-01 -.3616156E-01 -.4287503E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:12579: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12580- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-12581-0 1 -0.8139522490403854E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:12582: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12583- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12594- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:12595: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-12596- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12600-0 4 -.8278449E-02 0.1076296E-01 -.3616156E-01 -.4287503E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:12601: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12602- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-12603-0 1 -0.8139522490403854E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:12604: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12605- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12612- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:12613: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-12614- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-12618-0 4 -.1170749E-01 0.1522112E-01 -.5114016E-01 -.4287503E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:12619: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12620- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-12621-0 1 -0.1151102309716996E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:12622: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-12623- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13102- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:13103: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13104- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13105-0 1 -0.6578857454602813E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:13106: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13107- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13116- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:13117: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13118- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13119-0 1 -.6578857E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:13120: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13121- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13132- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:13133: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13134- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13135-0 1 -.6578857E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:13136: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13137- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13144- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:13145: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13146- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13147-0 1 -.6578857E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:13148: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13149- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13506- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:13507: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13508- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13509-0 1 0.1932676786455499E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:13510: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13511- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13520- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:13521: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13522- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13523-0 1 0.1932677E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:13524: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13525- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13536- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:13537: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13538- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13539-0 1 0.1932677E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:13540: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13541- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13548- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:13549: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13550- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13551-0 1 0.1932677E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:13552: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13553- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13766- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:13767: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13768- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13769-0 1 0.3966191330264751E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:13770: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13771- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13773-0 2 0.1251430231109485E+03 -0.1269989650905573E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:13774: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13775- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13780-0 5 -0.7556543970969790E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:13781: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13782- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13793- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:13794: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13795- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13796-0 1 0.3966191E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:13797: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13798- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13800-0 2 0.1251430E+03 -.1269990E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:13801: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13802- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13807-0 5 -0.7556543970969790E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:13808: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13809- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13822- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:13823: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13824- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13825-0 1 0.3966191E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:13826: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13827- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13829-0 2 0.1251430E+03 -.1269990E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:13830: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13831- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13836-0 5 -0.7556543970969790E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:13837: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13838- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13847- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:13848: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13849- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13850-0 1 0.3966191E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:13851: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13852- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13854-0 2 0.1769790E+03 -.1269990E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:13855: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13856- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13861-0 5 -0.1068656696841412E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:13862: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13863- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13885- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:13886: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-13887- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13904- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:13905: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-13906- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13921- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:13922: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-13923- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13934- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:13935: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-13936- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13960- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:13961: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-13962- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13970-
nwchem-7.0.1/src/lucia/testcase-O3.output:13971: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13972- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13973-0 1 -0.1672298367363598E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:13974: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13975- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13984- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:13985: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-13986- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-13990-0 4 0.4138629E-01 -.4068145E-01 -.5064320E-01 0.3977400E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:13991: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13992- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-13993-0 1 -0.1672298367363598E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:13994: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-13995- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-14006- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:14007: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-14008- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-14012-0 4 0.4138629E-01 -.4068145E-01 -.5064320E-01 0.3977400E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:14013: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14014- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-14015-0 1 -0.1672298367363598E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:14016: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14017- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-14024- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:14025: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-14026- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-14030-0 4 0.5852905E-01 -.5753226E-01 -.7162030E-01 0.3977400E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:14031: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14032- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-14033-0 1 -0.2364987031459985E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:14034: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14035- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-14514- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:14515: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14516- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-14517-0 1 -0.1738021158039102E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:14518: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14519- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-14528- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:14529: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14530- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-14531-0 1 -.1738021E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:14532: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14533- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-14544- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:14545: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14546- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-14547-0 1 -.1738021E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:14548: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14549- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-14556- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:14557: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14558- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-14559-0 1 -.1738021E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:14560: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14561- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-14918- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:14919: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14920- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-14921-0 1 0.3966191330264751E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:14922: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14923- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-14932- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:14933: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14934- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-14935-0 1 0.3966191E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:14936: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14937- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-14948- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:14949: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14950- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-14951-0 1 0.3966191E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:14952: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14953- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-14960- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:14961: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14962- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-14963-0 1 0.3966191E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:14964: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-14965- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15195- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:15196: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15197- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-15198-0 1 0.9684983837407474E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:15199: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15200- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15202-0 2 -0.3229347171588448E+02 0.1224202890649191E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:15203: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15204- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15209-0 5 -0.4505469293303743E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:15210: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15211- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15222- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:15223: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15224- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-15225-0 1 0.9684984E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:15226: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15227- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15229-0 2 -.3229347E+02 0.1224203E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:15230: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15231- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15236-0 5 -0.4505469293303743E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:15237: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15238- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15251- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:15252: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15253- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-15254-0 1 0.9684984E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:15255: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15256- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15258-0 2 -.3229347E+02 0.1224203E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:15259: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15260- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15265-0 5 -0.4505469293303743E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:15266: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15267- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15276- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:15277: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15278- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-15279-0 1 0.9684984E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:15280: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15281- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15283-0 2 -.4566987E+02 0.1224203E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:15284: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15285- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15290-0 5 -0.6371695779445678E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:15291: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15292- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15314- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:15315: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-15316- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15333- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:15334: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-15335- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15350- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:15351: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-15352- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15363- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:15364: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-15365- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15389- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:15390: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-15391- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15399-
nwchem-7.0.1/src/lucia/testcase-O3.output:15400: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15401- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-15402-0 1 -0.4067588133811703E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:15403: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15404- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15413- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:15414: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-15415- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15419-0 4 -.7066193E-02 0.6112980E-02 -.5221725E-02 -.1599626E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:15420: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15421- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-15422-0 1 -0.4067588133811703E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:15423: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15424- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15435- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:15436: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-15437- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15441-0 4 -.7066193E-02 0.6112980E-02 -.5221725E-02 -.1599626E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:15442: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15443- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-15444-0 1 -0.4067588133811703E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:15445: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15446- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15453- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:15454: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-15455- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15459-0 4 -.9993105E-02 0.8645059E-02 -.7384634E-02 -.1599626E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:15460: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15461- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-15462-0 1 -0.5752438304984379E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:15463: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15464- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15943- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:15944: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15945- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-15946-0 1 -0.6759621571578597E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:15947: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15948- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15957- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:15958: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15959- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-15960-0 1 -.6759622E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:15961: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15962- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15973- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:15974: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15975- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-15976-0 1 -.6759622E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:15977: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15978- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-15985- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:15986: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15987- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-15988-0 1 -.6759622E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:15989: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-15990- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16347- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:16348: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16349- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-16350-0 1 0.9684983837407474E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:16351: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16352- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16361- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:16362: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16363- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-16364-0 1 0.9684984E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:16365: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16366- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16377- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:16378: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16379- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-16380-0 1 0.9684984E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:16381: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16382- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16389- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:16390: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16391- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-16392-0 1 0.9684984E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:16393: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16394- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16607- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:16608: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16609- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-16610-0 1 -0.6343615003169616E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:16611: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16612- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16614-0 2 0.8438914316961646E+02 0.1717363845615124E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:16615: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16616- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16621-0 5 -0.8178968472665800E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:16622: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16623- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16634- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:16635: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16636- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-16637-0 1 -.6343615E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:16638: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16639- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16641-0 2 0.8438914E+02 0.1717364E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:16642: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16643- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16648-0 5 -0.8178968472665800E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:16649: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16650- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16663- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:16664: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16665- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-16666-0 1 -.6343615E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:16667: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16668- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16670-0 2 0.8438914E+02 0.1717364E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:16671: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16672- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16677-0 5 -0.8178968472665800E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:16678: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16679- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16688- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:16689: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16690- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-16691-0 1 -.6343615E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:16692: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16693- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16695-0 2 0.1193443E+03 0.1717364E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:16696: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16697- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16702-0 5 -0.1156680814026593E+00
nwchem-7.0.1/src/lucia/testcase-O3.output:16703: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16704- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16726- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:16727: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-16728- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16745- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:16746: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-16747- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16762- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:16763: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-16764- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16775- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:16776: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-16777- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16801- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:16802: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-16803- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16811-
nwchem-7.0.1/src/lucia/testcase-O3.output:16812: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16813- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-16814-0 1 0.2663374885318478E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:16815: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16816- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16825- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:16826: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-16827- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16831-0 4 -.1699286E-01 0.2716193E-01 -.1870639E-01 -.5250062E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:16832: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16833- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-16834-0 1 0.2663374885318478E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:16835: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16836- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16847- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:16848: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-16849- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16853-0 4 -.1699286E-01 0.2716193E-01 -.1870639E-01 -.5250062E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:16854: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16855- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-16856-0 1 0.2663374885318478E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:16857: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16858- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16865- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:16866: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-16867- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-16871-0 4 -.2403153E-01 0.3841277E-01 -.2645483E-01 -.5250062E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:16872: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16873- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-16874-0 1 0.3766580884501278E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:16875: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-16876- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-17355- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:17356: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17357- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-17358-0 1 0.8551439154759441E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:17359: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17360- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-17369- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:17370: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17371- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-17372-0 1 0.8551439E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:17373: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17374- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-17385- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:17386: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17387- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-17388-0 1 0.8551439E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:17389: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17390- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-17397- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:17398: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17399- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-17400-0 1 0.8551439E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:17401: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17402- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-17759- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:17760: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17761- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-17762-0 1 -0.6343615003169616E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:17763: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17764- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-17773- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:17774: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17775- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-17776-0 1 -.6343615E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:17777: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17778- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-17789- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:17790: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17791- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-17792-0 1 -.6343615E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:17793: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17794- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-17801- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:17802: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17803- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-17804-0 1 -.6343615E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:17805: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-17806- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18019- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:18020: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18021- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-18022-0 1 -0.1821709927928310E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:18023: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18024- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18026-0 2 -0.3841075073129857E+01 -0.8919429961422389E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:18027: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18028- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18033-0 5 0.2826542504543652E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:18034: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18035- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18046- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:18047: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18048- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-18049-0 1 -.1821710E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:18050: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18051- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18053-0 2 -.3841075E+01 -.8919430E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:18054: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18055- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18060-0 5 0.2826542504543652E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:18061: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18062- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18075- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:18076: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18077- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-18078-0 1 -.1821710E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:18079: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18080- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18082-0 2 -.3841075E+01 -.8919430E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:18083: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18084- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18089-0 5 0.2826542504543652E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:18090: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18091- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18100- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:18101: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18102- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-18103-0 1 -.1821710E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:18104: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18105- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18107-0 2 -.5432100E+01 -.8919430E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:18108: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18109- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18114-0 5 0.3997334744549649E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:18115: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18116- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18138- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:18139: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-18140- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18157- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:18158: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-18159- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18174- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:18175: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-18176- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18187- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:18188: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-18189- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18213- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:18214: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-18215- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18223-
nwchem-7.0.1/src/lucia/testcase-O3.output:18224: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18225- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-18226-0 1 0.7672815248326757E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:18227: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18228- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18237- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:18238: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-18239- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18243-0 4 0.1498403E-01 -.1852348E-01 0.3247410E-01 0.5343542E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:18244: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18245- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-18246-0 1 0.7672815248326757E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:18247: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18248- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18259- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:18260: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-18261- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18265-0 4 0.1498403E-01 -.1852348E-01 0.3247410E-01 0.5343542E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:18266: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18267- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-18268-0 1 0.7672815248326757E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:18269: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18270- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18277- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:18278: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-18279- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18283-0 4 0.2119062E-01 -.2619616E-01 0.4592532E-01 0.5343542E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:18284: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18285- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-18286-0 1 0.1085099938576679E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:18287: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18288- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18767- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:18768: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18769- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-18770-0 1 0.6220433111393299E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:18771: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18772- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18781- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:18782: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18783- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-18784-0 1 0.6220433E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:18785: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18786- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18797- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:18798: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18799- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-18800-0 1 0.6220433E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:18801: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18802- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-18809- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:18810: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18811- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-18812-0 1 0.6220433E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:18813: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-18814- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19171- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:19172: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19173- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-19174-0 1 -0.1821709927928310E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:19175: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19176- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19185- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:19186: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19187- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-19188-0 1 -.1821710E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:19189: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19190- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19201- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:19202: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19203- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-19204-0 1 -.1821710E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:19205: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19206- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19213- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:19214: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19215- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-19216-0 1 -.1821710E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:19217: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19218- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19431- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:19432: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19433- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-19434-0 1 -0.5946974624731561E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:19435: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19436- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19438-0 2 -0.1297540064387716E+03 0.1108329830888722E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:19439: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19440- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19445-0 5 0.1409902209900049E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:19446: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19447- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19458- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:19459: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19460- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-19461-0 1 -.5946975E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:19462: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19463- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19465-0 2 -.1297540E+03 0.1108330E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:19466: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19467- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19472-0 5 0.1409902209900049E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:19473: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19474- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19487- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:19488: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19489- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-19490-0 1 -.5946975E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:19491: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19492- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19494-0 2 -.1297540E+03 0.1108330E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:19495: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19496- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19501-0 5 0.1409902209900049E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:19502: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19503- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19512- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:19513: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19514- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-19515-0 1 -.5946975E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:19516: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19517- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19519-0 2 -.1834999E+03 0.1108330E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:19520: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19521- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19526-0 5 0.1993902826860448E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:19527: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19528- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19550- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:19551: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-19552- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19569- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:19570: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-19571- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19586- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:19587: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-19588- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19599- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:19600: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-19601- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19625- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:19626: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-19627- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19635-
nwchem-7.0.1/src/lucia/testcase-O3.output:19636: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19637- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-19638-0 1 0.2506908906365569E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:19639: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19640- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19649- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:19650: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-19651- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19655-0 4 -.3927294E-01 0.3775563E-01 0.5564274E-01 -.3169659E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:19656: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19657- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-19658-0 1 0.2506908906365569E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:19659: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19660- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19671- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:19672: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-19673- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19677-0 4 -.3927294E-01 0.3775563E-01 0.5564274E-01 -.3169659E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:19678: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19679- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-19680-0 1 0.2506908906365569E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:19681: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19682- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19689- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:19690: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-19691- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-19695-0 4 -.5554032E-01 0.5339452E-01 0.7869072E-01 -.3169659E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:19696: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19697- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-19698-0 1 0.3545304575016091E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:19699: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-19700- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20179- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:20180: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20181- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-20182-0 1 0.2448465945790591E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:20183: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20184- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20193- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:20194: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20195- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-20196-0 1 0.2448466E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:20197: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20198- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20209- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:20210: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20211- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-20212-0 1 0.2448466E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:20213: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20214- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20221- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:20222: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20223- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-20224-0 1 0.2448466E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:20225: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20226- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20583- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:20584: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20585- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-20586-0 1 -0.5946974624731561E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:20587: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20588- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20597- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:20598: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20599- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-20600-0 1 -.5946975E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:20601: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20602- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20613- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:20614: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20615- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-20616-0 1 -.5946975E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:20617: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20618- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20625- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:20626: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20627- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-20628-0 1 -.5946975E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:20629: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20630- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20860- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:20861: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20862- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-20863-0 1 0.9687980450799078E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:20864: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20865- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20867-0 2 -0.3231971619474671E+02 0.1219225224604005E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:20868: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20869- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20874-0 5 -0.4503035234204679E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:20875: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20876- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20887- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:20888: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20889- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-20890-0 1 0.9687980E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:20891: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20892- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20894-0 2 -.3231972E+02 0.1219225E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:20895: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20896- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20901-0 5 -0.4503035234204679E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:20902: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20903- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20916- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:20917: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20918- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-20919-0 1 0.9687980E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:20920: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20921- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20923-0 2 -.3231972E+02 0.1219225E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:20924: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20925- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20930-0 5 -0.4503035234204679E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:20931: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20932- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20941- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:20942: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20943- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-20944-0 1 0.9687980E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:20945: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20946- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20948-0 2 -.4570698E+02 0.1219225E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:20949: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20950- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20955-0 5 -0.6368253500056163E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:20956: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-20957- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20979- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:20980: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-20981- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-20998- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:20999: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-21000- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21015- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:21016: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-21017- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21028- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:21029: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-21030- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21054- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:21055: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-21056- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21064-
nwchem-7.0.1/src/lucia/testcase-O3.output:21065: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21066- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-21067-0 1 -0.4068847592221004E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:21068: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21069- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21078- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:21079: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-21080- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21084-0 4 -.7061542E-02 0.6105305E-02 -.5217657E-02 -.1598246E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:21085: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21086- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-21087-0 1 -0.4068847592221004E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:21088: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21089- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21100- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:21101: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-21102- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21106-0 4 -.7061542E-02 0.6105305E-02 -.5217657E-02 -.1598246E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:21107: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21108- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-21109-0 1 -0.4068847592221004E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:21110: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21111- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21118- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:21119: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-21120- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21124-0 4 -.9986529E-02 0.8634205E-02 -.7378881E-02 -.1598246E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:21125: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21126- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-21127-0 1 -0.5754219448148057E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:21128: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21129- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21608- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:21609: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21610- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-21611-0 1 -0.6766106811820931E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:21612: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21613- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21622- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:21623: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21624- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-21625-0 1 -.6766107E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:21626: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21627- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21638- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:21639: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21640- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-21641-0 1 -.6766107E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:21642: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21643- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-21650- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:21651: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21652- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-21653-0 1 -.6766107E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:21654: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-21655- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22012- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:22013: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22014- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-22015-0 1 0.9687980450799078E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:22016: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22017- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22026- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:22027: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22028- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-22029-0 1 0.9687980E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:22030: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22031- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22042- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:22043: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22044- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-22045-0 1 0.9687980E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:22046: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22047- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22054- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:22055: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22056- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-22057-0 1 0.9687980E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:22058: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22059- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22272- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:22273: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22274- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-22275-0 1 0.6306418923566807E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:22276: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22277- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22279-0 2 -0.8446910706621587E+02 -0.1718165102473359E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:22280: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22281- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22286-0 5 0.8185989870016622E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:22287: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22288- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22299- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:22300: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22301- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-22302-0 1 0.6306419E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:22303: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22304- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22306-0 2 -.8446911E+02 -.1718165E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:22307: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22308- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22313-0 5 0.8185989870016622E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:22314: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22315- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22328- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:22329: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22330- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-22331-0 1 0.6306419E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:22332: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22333- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22335-0 2 -.8446911E+02 -.1718165E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:22336: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22337- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22342-0 5 0.8185989870016622E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:22343: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22344- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22353- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:22354: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22355- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-22356-0 1 0.6306419E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:22357: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22358- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22360-0 2 -.1194574E+03 -.1718165E+03
nwchem-7.0.1/src/lucia/testcase-O3.output:22361: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22362- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22367-0 5 0.1157673789562628E+00
nwchem-7.0.1/src/lucia/testcase-O3.output:22368: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22369- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22391- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:22392: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-22393- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22410- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:22411: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-22412- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22427- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:22428: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-22429- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22440- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:22441: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-22442- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22466- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:22467: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-22468- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22476-
nwchem-7.0.1/src/lucia/testcase-O3.output:22477: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22478- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-22479-0 1 -0.2647710676200222E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:22480: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22481- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22490- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:22491: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-22492- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22496-0 4 0.1699456E-01 -.2717018E-01 0.1879797E-01 0.5257389E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:22497: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22498- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-22499-0 1 -0.2647710676200222E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:22500: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22501- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22512- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:22513: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-22514- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22518-0 4 0.1699456E-01 -.2717018E-01 0.1879797E-01 0.5257389E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:22519: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22520- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-22521-0 1 -0.2647710676200222E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:22522: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22523- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22530- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:22531: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-22532- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-22536-0 4 0.2403394E-01 -.3842444E-01 0.2658434E-01 0.5257389E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:22537: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22538- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-22539-0 1 -0.3744428347522393E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:22540: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-22541- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23020- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:23021: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23022- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23023-0 1 -0.8430947326036966E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:23024: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23025- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23034- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:23035: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23036- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23037-0 1 -.8430947E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:23038: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23039- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23050- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:23051: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23052- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23053-0 1 -.8430947E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:23054: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23055- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23062- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:23063: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23064- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23065-0 1 -.8430947E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:23066: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23067- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23424- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:23425: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23426- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23427-0 1 0.6306418923566807E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:23428: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23429- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23438- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:23439: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23440- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23441-0 1 0.6306419E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:23442: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23443- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23454- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:23455: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23456- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23457-0 1 0.6306419E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:23458: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23459- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23466- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:23467: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23468- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23469-0 1 0.6306419E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:23470: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23471- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23701- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:23702: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23703- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23704-0 1 0.9687965317986152E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:23705: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23706- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23708-0 2 -0.3231951350389453E+02 0.1219266453423792E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:23709: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23710- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23715-0 5 -0.4503054877166036E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:23716: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23717- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23728- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:23729: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23730- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23731-0 1 0.9687965E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:23732: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23733- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23735-0 2 -.3231951E+02 0.1219266E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:23736: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23737- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23742-0 5 -0.4503054877166036E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:23743: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23744- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23757- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:23758: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23759- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23760-0 1 0.9687965E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:23761: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23762- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23764-0 2 -.3231951E+02 0.1219266E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:23765: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23766- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23771-0 5 -0.4503054877166036E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:23772: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23773- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23782- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:23783: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23784- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23785-0 1 0.9687965E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:23786: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23787- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23789-0 2 -.4570669E+02 0.1219266E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:23790: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23791- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23796-0 5 -0.6368281279398520E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:23797: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23798- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23820- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:23821: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-23822- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23839- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:23840: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-23841- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23856- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:23857: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-23858- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23869- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:23870: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-23871- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23895- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:23896: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-23897- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23905-
nwchem-7.0.1/src/lucia/testcase-O3.output:23906: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23907- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23908-0 1 -0.4068841238803819E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:23909: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23910- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23919- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:23920: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-23921- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23925-0 4 -.7061583E-02 0.6105370E-02 -.5217702E-02 -.1598258E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:23926: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23927- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23928-0 1 -0.4068841238803819E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:23929: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23930- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23941- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:23942: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-23943- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23947-0 4 -.7061583E-02 0.6105370E-02 -.5217702E-02 -.1598258E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:23948: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23949- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23950-0 1 -0.4068841238803819E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:23951: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23952- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23959- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:23960: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-23961- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-23965-0 4 -.9986587E-02 0.8634297E-02 -.7378944E-02 -.1598258E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:23966: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23967- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-23968-0 1 -0.5754210463059306E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:23969: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-23970- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-24449- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:24450: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24451- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-24452-0 1 -0.6766083338572074E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:24453: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24454- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-24463- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:24464: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24465- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-24466-0 1 -.6766083E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:24467: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24468- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-24479- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:24480: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24481- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-24482-0 1 -.6766083E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:24483: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24484- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-24491- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:24492: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24493- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-24494-0 1 -.6766083E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:24495: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24496- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-24853- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:24854: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24855- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-24856-0 1 0.9687965317986152E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:24857: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24858- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-24867- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:24868: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24869- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-24870-0 1 0.9687965E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:24871: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24872- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-24883- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:24884: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24885- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-24886-0 1 0.9687965E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:24887: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24888- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-24895- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:24896: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24897- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-24898-0 1 0.9687965E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:24899: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-24900- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25130- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:25131: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25132- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-25133-0 1 0.9687965317986152E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:25134: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25135- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25137-0 2 -0.3231951350389453E+02 0.1219266453423792E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:25138: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25139- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25144-0 5 -0.4503054877166036E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:25145: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25146- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25157- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:25158: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25159- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-25160-0 1 0.9687965E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:25161: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25162- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25164-0 2 -.3231951E+02 0.1219266E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:25165: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25166- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25171-0 5 -0.4503054877166036E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:25172: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25173- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25186- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:25187: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25188- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-25189-0 1 0.9687965E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:25190: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25191- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25193-0 2 -.3231951E+02 0.1219266E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:25194: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25195- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25200-0 5 -0.4503054877166036E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:25201: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25202- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25211- Number of blocks in batch 8
nwchem-7.0.1/src/lucia/testcase-O3.output:25212: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25213- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-25214-0 1 0.9687965E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:25215: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25216- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25218-0 2 -.4570669E+02 0.1219266E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:25219: Iasm iatp ibtp : 1 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25220- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25225-0 5 -0.6368281279398520E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:25226: Iasm iatp ibtp : 4 2 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25227- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25249- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:25250: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-25251- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25268- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:25269: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-25270- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25285- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:25286: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-25287- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25298- Number of blocks in batch 3
nwchem-7.0.1/src/lucia/testcase-O3.output:25299: Iasm iatp ibtp : 1 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-25300- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25324- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:25325: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-25326- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25334-
nwchem-7.0.1/src/lucia/testcase-O3.output:25335: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25336- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-25337-0 1 -0.4068841238803819E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:25338: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25339- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25348- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:25349: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-25350- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25354-0 4 -.7061583E-02 0.6105370E-02 -.5217702E-02 -.1598258E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:25355: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25356- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-25357-0 1 -0.4068841238803819E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:25358: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25359- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25370- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:25371: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-25372- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25376-0 4 -.7061583E-02 0.6105370E-02 -.5217702E-02 -.1598258E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:25377: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25378- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-25379-0 1 -0.4068841238803819E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:25380: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25381- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25388- Number of blocks in batch 5
nwchem-7.0.1/src/lucia/testcase-O3.output:25389: Iasm iatp ibtp : 4 2 2
nwchem-7.0.1/src/lucia/testcase-O3.output-25390- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25394-0 4 -.9986587E-02 0.8634297E-02 -.7378944E-02 -.1598258E-01
nwchem-7.0.1/src/lucia/testcase-O3.output:25395: Iasm iatp ibtp : 1 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25396- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-25397-0 1 -0.5754210463059306E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:25398: Iasm iatp ibtp : 4 3 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25399- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25878- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:25879: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25880- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-25881-0 1 -0.6766083365385723E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:25882: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25883- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25892- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:25893: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25894- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-25895-0 1 -.6766083E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:25896: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25897- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25908- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:25909: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25910- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-25911-0 1 -.6766083E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:25912: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25913- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-25920- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:25921: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25922- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-25923-0 1 -.6766083E-02
nwchem-7.0.1/src/lucia/testcase-O3.output:25924: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-25925- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-26282- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:26283: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-26284- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-26285-0 1 0.9687965317986152E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:26286: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-26287- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-26296- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:26297: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-26298- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-26299-0 1 0.9687965E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:26300: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-26301- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-26312- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:26313: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-26314- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-26315-0 1 0.9687965E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:26316: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-26317- ============================
##############################################
nwchem-7.0.1/src/lucia/testcase-O3.output-26324- Number of blocks in batch 4
nwchem-7.0.1/src/lucia/testcase-O3.output:26325: Iasm iatp ibtp : 1 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-26326- ============================
nwchem-7.0.1/src/lucia/testcase-O3.output-26327-0 1 0.9687965E+02
nwchem-7.0.1/src/lucia/testcase-O3.output:26328: Iasm iatp ibtp : 4 1 1
nwchem-7.0.1/src/lucia/testcase-O3.output-26329- ============================
##############################################
nwchem-7.0.1/src/lucia/tra_simple.F-1100-c new:
nwchem-7.0.1/src/lucia/tra_simple.F:1101: INT_OUT = I2ADDR(IOB,JOB,KOB,LOB,I2OFF,NOCCSYM,NO12SYM)
nwchem-7.0.1/src/lucia/tra_simple.F-1102-
##############################################
nwchem-7.0.1/src/lucia/vg.F-589- ISBTP = IBATS(2,ISBLK)
nwchem-7.0.1/src/lucia/vg.F:590: ISASM = IBATS(3,ISBLK)
nwchem-7.0.1/src/lucia/vg.F-591- ISBSM = IBATS(4,ISBLK)
##############################################
nwchem-7.0.1/src/lucia/vg.F-1098- DO JBLK = ICBLK, ICBLK -1 + NCBLK
nwchem-7.0.1/src/lucia/vg.F:1099: JASM = ICBLOCK(3,JBLK)
nwchem-7.0.1/src/lucia/vg.F-1100- JBSM = ICBLOCK(4,JBLK)
##############################################
nwchem-7.0.1/src/lucia/vg.F-1411-*. Loop over symmetry-blocks of C and Sigma
nwchem-7.0.1/src/lucia/vg.F:1412: DO IASM = 1, NSMST
nwchem-7.0.1/src/lucia/vg.F-1413- IBSM = MULTD2H(ISSM,IASM)
##############################################
nwchem-7.0.1/src/lucia/vg.F-1419- IF(IS_INCLUDED.EQ.1) THEN
nwchem-7.0.1/src/lucia/vg.F:1420: DO JASM = 1, NSMST
nwchem-7.0.1/src/lucia/vg.F-1421- JBSM = MULTD2H(ICSM,JASM)
##############################################
nwchem-7.0.1/src/lucia/vg.F-1429- & ' IASM, IBSM, JASM, JBSM ', IASM,IBSM,JASM,JBSM
nwchem-7.0.1/src/lucia/vg.F:1430: DO KASM = 1, NSMST
nwchem-7.0.1/src/lucia/vg.F-1431-*
##############################################
nwchem-7.0.1/src/moints/crayio.c-90-
nwchem-7.0.1/src/moints/crayio.c:91:static int CheckAddr(addr)
nwchem-7.0.1/src/moints/crayio.c-92- long addr;
##############################################
nwchem-7.0.1/src/moints/crayio.c-260-
nwchem-7.0.1/src/moints/crayio.c:261: if ((*ierr = CheckAddr(*addr)))
nwchem-7.0.1/src/moints/crayio.c-262- return;
##############################################
nwchem-7.0.1/src/moints/crayio.c-318-
nwchem-7.0.1/src/moints/crayio.c:319: if ((*ierr = CheckAddr(*addr)))
nwchem-7.0.1/src/moints/crayio.c-320- return;
##############################################
nwchem-7.0.1/src/mrpt/fci/GNUmakefile-31-# BLAS := linux_cputime.o dgemm.o idamax.o crayio.o
nwchem-7.0.1/src/mrpt/fci/GNUmakefile:32:## now in asm blas library: dscal.o daxpy.o dcopy.o ddot.o
nwchem-7.0.1/src/mrpt/fci/GNUmakefile-33-## now intrinsic: ieor.o
##############################################
nwchem-7.0.1/src/mrpt/fci/crayio.c-78-
nwchem-7.0.1/src/mrpt/fci/crayio.c:79:static int CheckAddr(addr)
nwchem-7.0.1/src/mrpt/fci/crayio.c-80- long addr;
##############################################
nwchem-7.0.1/src/mrpt/fci/crayio.c-251-
nwchem-7.0.1/src/mrpt/fci/crayio.c:252: if (*ierr = CheckAddr(*addr))
nwchem-7.0.1/src/mrpt/fci/crayio.c-253- return;
##############################################
nwchem-7.0.1/src/mrpt/fci/crayio.c-309-
nwchem-7.0.1/src/mrpt/fci/crayio.c:310: if (*ierr = CheckAddr(*addr))
nwchem-7.0.1/src/mrpt/fci/crayio.c-311- return;
##############################################
nwchem-7.0.1/src/mrpt/fci/doc/matrixelements.tex-691-What line-up permutations ($Q$) are of interest? Consider $\hat{Q} =
nwchem-7.0.1/src/mrpt/fci/doc/matrixelements.tex:692:E_{ij}$ where orbital $j$ is singly occupied in $|I\! >$ ($n_j^I = 0$)
nwchem-7.0.1/src/mrpt/fci/doc/matrixelements.tex-693-and orbital $i$ is unoccupied ($n_i^I=0$). This simply replaces
##############################################
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-155- # have been specified including the path.
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc:156: script_path="`dirname \"$0\"`"
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-157-else
##############################################
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-159- # been found in PATH.
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc:160: script_path="`which \"$0\"`"
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc:161: script_path="`dirname \"$path\"`"
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-162-fi
##############################################
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-191-if [ "x$outputfile" == "x" ] ; then
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc:192: outputfile=`echo "$inputfile" | sed 's/\.max/.F/'`
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-193-fi
##############################################
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-200-functional_name=${inputfile%.max}
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc:201:functional_name=`basename $functional_name`
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc:202:functional_name=`echo "$functional_name" | sed -e 's/^nwxc_//' -e 's/-/_/' -e 's/+/_/'`
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-203-#
##############################################
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-219-echo > $f_maxima
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc:220:lisp_version=`maxima -b $f_maxima | grep -i lisp | sed -e 's/using Lisp //'`
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-221-#
##############################################
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds-173- # have been specified including the path.
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds:174: script_path="`dirname \"$0\"`"
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds-175-else
##############################################
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds-177- # been found in PATH.
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds:178: script_path="`which \"$0\"`"
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds:179: script_path="`dirname \"$path\"`"
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds-180-fi
##############################################
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds-209-if [ "x$outputfile" == "x" ] ; then
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds:210: outputfile=`echo "$inputfile" | sed 's/\.max/.F/'`
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds-211-fi
##############################################
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds-218-functional_name=${inputfile%.max}
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds:219:functional_name=`basename $functional_name`
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds:220:functional_name=`echo "$functional_name" | sed -e 's/^nwxc_//' -e 's/-/_/' -e 's/+/_/'`
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds-221-#
##############################################
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds-237-echo > $f_maxima
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds:238:lisp_version=`maxima -b $f_maxima | grep -i lisp | sed -e 's/using Lisp //'`
nwchem-7.0.1/src/nwxc/maxima/bin/autoxc-Ds-239-#
##############################################
nwchem-7.0.1/src/peigs/example/prun-114-
nwchem-7.0.1/src/peigs/example/prun:115: set ISNUMBER = `echo $NROWS | sed 's/^[0-9]*$//'`
nwchem-7.0.1/src/peigs/example/prun-116- if ( "$ISNUMBER" != "" || "$NROWS" == "" ) then
##############################################
nwchem-7.0.1/src/peigs/example/prun-122-
nwchem-7.0.1/src/peigs/example/prun:123: set ISNUMBER = `echo $NCOLS | sed 's/^[0-9]*$//'`
nwchem-7.0.1/src/peigs/example/prun-124- if ( "$ISNUMBER" != "" || "$NCOLS" == "" ) then
##############################################
nwchem-7.0.1/src/peigs/example/prun-173-
nwchem-7.0.1/src/peigs/example/prun:174: set ISNUMBER = `echo $NUM_PROC | sed 's/^[0-9]*$//'`
nwchem-7.0.1/src/peigs/example/prun-175- if ( "$ISNUMBER" != "" || "$NUM_PROC" == "" ) then
##############################################
nwchem-7.0.1/src/peigs/example/prun-551- #echo $ME
nwchem-7.0.1/src/peigs/example/prun:552: set SPNODES = `cat /sphome/$ME/SPnodes.$JID`
nwchem-7.0.1/src/peigs/example/prun-553- #echo $SPNODES
##############################################
nwchem-7.0.1/src/rdmft/recycling/wfn1/notes_deriv/notes_deriv.tex-62-\end{eqnarray}
nwchem-7.0.1/src/rdmft/recycling/wfn1/notes_deriv/notes_deriv.tex:63:where $\lambda_k = \mathbf{\Lambda}_{kk}$. The first term stems from the fact
nwchem-7.0.1/src/rdmft/recycling/wfn1/notes_deriv/notes_deriv.tex-64-that the off-diagonal elements have to be considered variables at the value
##############################################
nwchem-7.0.1/src/rdmft/recycling/wfn1/wfn1_nxt2_enumerate.F-13-C> value is \f$ R = \sum_k A_{kk}v_{ki}v_{ki} = \sum_k A_{kk}w_k \f$
nwchem-7.0.1/src/rdmft/recycling/wfn1/wfn1_nxt2_enumerate.F:14:C> where \f$w_k = v_{ki}v_{ki} \f$. Obviously all numbers \f$w_k\f$ are
nwchem-7.0.1/src/rdmft/recycling/wfn1/wfn1_nxt2_enumerate.F-15-C> non-negative and they sum to \f$1\f$. If we create \f$v_2\f$ from
##############################################
nwchem-7.0.1/src/rdmft/recycling/wfn1/wfn1_orthogonalize.F-18-C> The new wavefunction then is \f$\Psi'_I = A\left(\Psi_I-\sum_{J=1}^{I-1}c_{IJ}\Psi_J\right)\f$
nwchem-7.0.1/src/rdmft/recycling/wfn1/wfn1_orthogonalize.F:19:C> where \f$A=1/\sqrt{1+\sum_J(c_{IJ}^2-2c_{IJ})}\f$.
nwchem-7.0.1/src/rdmft/recycling/wfn1/wfn1_orthogonalize.F-20-C>
##############################################
nwchem-7.0.1/src/rimp2_grad/doc/chbar.sh-12-
nwchem-7.0.1/src/rimp2_grad/doc/chbar.sh:13:CMD=`basename $0`
nwchem-7.0.1/src/rimp2_grad/doc/chbar.sh-14-
##############################################
nwchem-7.0.1/src/rimp2_grad/doc/chbar.sh-86-
nwchem-7.0.1/src/rimp2_grad/doc/chbar.sh:87:shift `expr $OPTIND - 1`
nwchem-7.0.1/src/rimp2_grad/doc/chbar.sh-88-
##############################################
nwchem-7.0.1/src/rimp2_grad/doc/chbar.sh-127-
nwchem-7.0.1/src/rimp2_grad/doc/chbar.sh:128: [ $DEBUG = "YES" ] && echo "OLD=\`$OLD' NEW=\`$NEW' OUT=\`$OUT'"
nwchem-7.0.1/src/rimp2_grad/doc/chbar.sh-129-
##############################################
nwchem-7.0.1/src/solvation/hnd_cosmo_lib.F-1762-C> Alternative 1". Alternatively one could start from Ref.[1] Eq.(11)
nwchem-7.0.1/src/solvation/hnd_cosmo_lib.F:1763:C> where \f$E(Q,q)=\frac{1}{2}Q^T(C-BA^{-1}B)Q=\frac{1}{2}(Q^TCQ+Q^TBq)\f$.
nwchem-7.0.1/src/solvation/hnd_cosmo_lib.F-1764-C> Equating \f$E(Q,q)\f$ to \f$E_{\mathrm{tot}}\f$ from which we find
##############################################
nwchem-7.0.1/src/tools/get-tools-github-121- GA_DIR0=ga-"$GA_BRANCH"
nwchem-7.0.1/src/tools/get-tools-github:122: GA_DIR=`echo $GA_DIR0 | sed -e 's/\//_/g'`
nwchem-7.0.1/src/tools/get-tools-github-123- fi
##############################################
nwchem-7.0.1/src/tools/get-tools-github-178-fi
nwchem-7.0.1/src/tools/get-tools-github:179:GOTMINGW64=` $CC -dM -E - </dev/null 2> /dev/null |grep MINGW64|cut -c21 `
nwchem-7.0.1/src/tools/get-tools-github-180-if [ ! -z "$GOTMINGW64" ]
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-33- if [ ${#wrapper} -eq 0 ] ; then
nwchem-7.0.1/src/tools/guess-mpidefs:34: wrapper=`which ${candidate} 2> /dev/null`
nwchem-7.0.1/src/tools/guess-mpidefs-35- fi
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-51- #
nwchem-7.0.1/src/tools/guess-mpidefs:52: inlist="`${NWCHEM_MPIF_WRAP} -show`"
nwchem-7.0.1/src/tools/guess-mpidefs-53- result=$?
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-57- #
nwchem-7.0.1/src/tools/guess-mpidefs:58: inlist="`${NWCHEM_MPIF_WRAP} -showme`"
nwchem-7.0.1/src/tools/guess-mpidefs-59- result=$?
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-64- #
nwchem-7.0.1/src/tools/guess-mpidefs:65: inlist="`${NWCHEM_MPIF_WRAP} -link-info`"
nwchem-7.0.1/src/tools/guess-mpidefs-66- result=$?
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-73- for word in ${inlist} ; do
nwchem-7.0.1/src/tools/guess-mpidefs:74: len=`echo "${word}" | grep -o "^\-I" | wc -c`
nwchem-7.0.1/src/tools/guess-mpidefs-75- if [ ${len} -ge 3 ] ; then
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-78- done
nwchem-7.0.1/src/tools/guess-mpidefs:79:# len=`expr "${outlist}" : ' -I*'`
nwchem-7.0.1/src/tools/guess-mpidefs-80-# if [ ${len} -ge 3 ] ; then
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-92- #
nwchem-7.0.1/src/tools/guess-mpidefs:93: inlist="`${NWCHEM_MPIF_WRAP} -show`"
nwchem-7.0.1/src/tools/guess-mpidefs-94- result=$?
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-98- #
nwchem-7.0.1/src/tools/guess-mpidefs:99: inlist="`${NWCHEM_MPIF_WRAP} -showme`"
nwchem-7.0.1/src/tools/guess-mpidefs-100- result=$?
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-105- #
nwchem-7.0.1/src/tools/guess-mpidefs:106: inlist="`${NWCHEM_MPIF_WRAP} -link-info`"
nwchem-7.0.1/src/tools/guess-mpidefs-107- result=$?
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-114- for word in ${inlist} ; do
nwchem-7.0.1/src/tools/guess-mpidefs:115: len=`echo "${word}" | grep -o "^\-L" | wc -c`
nwchem-7.0.1/src/tools/guess-mpidefs-116- if [ ${len} -ge 3 ] ; then
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-119- done
nwchem-7.0.1/src/tools/guess-mpidefs:120:# len=`expr "${outlist}" : ' -L*'`
nwchem-7.0.1/src/tools/guess-mpidefs-121-# if [ ${len} -ge 3 ] ; then
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-133- #
nwchem-7.0.1/src/tools/guess-mpidefs:134: inlist="`${NWCHEM_MPIF_WRAP} -show`"
nwchem-7.0.1/src/tools/guess-mpidefs-135- result=$?
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-139- #
nwchem-7.0.1/src/tools/guess-mpidefs:140: inlist="`${NWCHEM_MPIF_WRAP} -showme`"
nwchem-7.0.1/src/tools/guess-mpidefs-141- result=$?
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-146- #
nwchem-7.0.1/src/tools/guess-mpidefs:147: inlist="`${NWCHEM_MPIF_WRAP} -link-info`"
nwchem-7.0.1/src/tools/guess-mpidefs-148- result=$?
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-155- for word in ${inlist} ; do
nwchem-7.0.1/src/tools/guess-mpidefs:156: len=`echo "${word}" | grep -o "^\-l" | wc -c`
nwchem-7.0.1/src/tools/guess-mpidefs-157- if [ ${len} -ge 3 ] ; then
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-170- #
nwchem-7.0.1/src/tools/guess-mpidefs:171: inlist="`${NWCHEM_MPIF_WRAP} -show`"
nwchem-7.0.1/src/tools/guess-mpidefs-172- result=$?
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-176- #
nwchem-7.0.1/src/tools/guess-mpidefs:177: inlist="`${NWCHEM_MPIF_WRAP} -showme`"
nwchem-7.0.1/src/tools/guess-mpidefs-178- result=$?
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-183- #
nwchem-7.0.1/src/tools/guess-mpidefs:184: inlist="`${NWCHEM_MPIF_WRAP} -compile-info`"
nwchem-7.0.1/src/tools/guess-mpidefs-185- result=$?
##############################################
nwchem-7.0.1/src/tools/guess-mpidefs-197- echo " end">>/tmp/$$.f
nwchem-7.0.1/src/tools/guess-mpidefs:198: word=`basename ${word}`
nwchem-7.0.1/src/tools/guess-mpidefs-199- indx=0
##############################################
nwchem-7.0.1/src/util/GNUmakefile-20- LIB_DEFINES += -DNWCHEM_LONG_PATHS
nwchem-7.0.1/src/util/GNUmakefile:21: LONGNWTOP = $(shell if [ `echo $(SRCDIR) |wc -m` -gt $(MXLENPATH) ]; then echo "Y"; fi )
nwchem-7.0.1/src/util/GNUmakefile-22-ifeq ($(LONGNWTOP),Y)
##############################################
nwchem-7.0.1/src/util/addids-23-
nwchem-7.0.1/src/util/addids:24: set filetype = `echo $file | awk -f $NWCHEM_TOP/src/util/filetype.awk`
nwchem-7.0.1/src/util/addids-25-
##############################################
nwchem-7.0.1/src/util/macx_trapfpe.c-5-/* from http://developer.apple.com/documentation/Performance/Conceptual/Mac_OSX_Numerics/Mac_OSX_Numerics.pdf */
nwchem-7.0.1/src/util/macx_trapfpe.c:6:#define fegetenvd(x) asm volatile("mffs %0" : "=f" (x));
nwchem-7.0.1/src/util/macx_trapfpe.c:7:#define fesetenvd(x) asm volatile("mtfsf 255,%0" : : "f" (x));
nwchem-7.0.1/src/util/macx_trapfpe.c-8-enum {
##############################################
nwchem-7.0.1/src/util/macx_trapfpe.c-51-
nwchem-7.0.1/src/util/macx_trapfpe.c:52:#define _FPU_GETCW(cw) asm volatile ("fnstcw %0" : "=m" (*&cw))
nwchem-7.0.1/src/util/macx_trapfpe.c:53:#define _FPU_SETCW(cw) asm volatile ("fldcw %0" : : "m" (*&cw))
nwchem-7.0.1/src/util/macx_trapfpe.c:54:#define _FPU_GETMXCSR(cw_sse) asm volatile ("stmxcsr %0" : "=m" (cw_sse))
nwchem-7.0.1/src/util/macx_trapfpe.c:55:#define _FPU_SETMXCSR(cw_sse) asm volatile ("ldmxcsr %0" : : "m" (cw_sse))
nwchem-7.0.1/src/util/macx_trapfpe.c-56-
##############################################
nwchem-7.0.1/src/util/util_ga_version.bash-26-if [[ -z "${NWCHEM_TOP}" ]]; then
nwchem-7.0.1/src/util/util_ga_version.bash:27: DIRUTIL=`dirname "$0"`
nwchem-7.0.1/src/util/util_ga_version.bash-28- MYPWD=`pwd`
nwchem-7.0.1/src/util/util_ga_version.bash:29: NWCHEM_TOP=`echo ${MYPWD}/${DIRUTIL} | sed -e 's/\/src.*//' `
nwchem-7.0.1/src/util/util_ga_version.bash-30-fi
##############################################
nwchem-7.0.1/src/util/util_ga_version.bash-37-
nwchem-7.0.1/src/util/util_ga_version.bash:38: ga_dir=`head -7 $NWCHEM_TOP/src/tools/build/co*log|tail -1 |cut -d '/' -f2`
nwchem-7.0.1/src/util/util_ga_version.bash-39- if [ -d "$NWCHEM_TOP/src/tools/${ga_dir}/.git" ] ; then
##############################################
nwchem-7.0.1/src/util/util_ga_version.bash-43- # gitversion exists, but is the ga_dir under git?
nwchem-7.0.1/src/util/util_ga_version.bash:44: GITBRANCH=`${my_gitversion} describe --tags 2> /dev/null| wc -l`
nwchem-7.0.1/src/util/util_ga_version.bash-45- if [ ${GITBRANCH} -ne 0 ]; then
nwchem-7.0.1/src/util/util_ga_version.bash-46- #
nwchem-7.0.1/src/util/util_ga_version.bash:47: revision=`${my_gitversion} describe --tags`
nwchem-7.0.1/src/util/util_ga_version.bash-48- fi
##############################################
nwchem-7.0.1/src/util/util_ga_version.bash-52-else
nwchem-7.0.1/src/util/util_ga_version.bash:53: revision=`${EXTERNAL_GA_PATH}/bin/ga-config --version`
nwchem-7.0.1/src/util/util_ga_version.bash-54-fi
##############################################
nwchem-7.0.1/src/util/util_ga_version.bash-58- if [ -f ${NWCHEM_TOP}/src/tools/install/bin/ga-config ] ; then
nwchem-7.0.1/src/util/util_ga_version.bash:59: revision=`${NWCHEM_TOP}/src/tools/install/bin/ga-config --version`
nwchem-7.0.1/src/util/util_ga_version.bash-60- fi
##############################################
nwchem-7.0.1/src/util/util_md_sockets.c-42- server_address.sin_family=AF_INET;
nwchem-7.0.1/src/util/util_md_sockets.c:43: server_address.sin_addr.s_addr=inet_addr(host);
nwchem-7.0.1/src/util/util_md_sockets.c-44- server_address.sin_port=htons((ushort) port);
##############################################
nwchem-7.0.1/src/util/util_md_sockets.c-75- address.sin_family=AF_INET;
nwchem-7.0.1/src/util/util_md_sockets.c:76: address.sin_addr.s_addr=inet_addr(host);
nwchem-7.0.1/src/util/util_md_sockets.c-77- address.sin_port=htons((ushort) port);
##############################################
nwchem-7.0.1/src/util/util_nwchem_version.bash-24- # script must have been specified including the path.
nwchem-7.0.1/src/util/util_nwchem_version.bash:25: path="`dirname \"$0\"`"
nwchem-7.0.1/src/util/util_nwchem_version.bash-26-else
##############################################
nwchem-7.0.1/src/util/util_nwchem_version.bash-28- # it must have been found in PATH.
nwchem-7.0.1/src/util/util_nwchem_version.bash:29: path="`which \"$0\"`"
nwchem-7.0.1/src/util/util_nwchem_version.bash:30: path="`dirname \"$path\"`"
nwchem-7.0.1/src/util/util_nwchem_version.bash-31-fi
##############################################
nwchem-7.0.1/src/util/util_nwchem_version.bash-35- # gitversion exists, but is the code under git?
nwchem-7.0.1/src/util/util_nwchem_version.bash:36:WCBRANCH=`${my_gitversion} describe --always | wc -l`
nwchem-7.0.1/src/util/util_nwchem_version.bash-37-if [ ${WCBRANCH} -ne 0 ]; then
nwchem-7.0.1/src/util/util_nwchem_version.bash:38: revision=`${my_gitversion} describe --always`
nwchem-7.0.1/src/util/util_nwchem_version.bash-39- echo " subroutine util_nwchem_version(nwrev)" > util_nwchem_version.F
##############################################
nwchem-7.0.1/src/util/util_scalapack_info.bash-2-if [[ -z "${NWCHEM_TOP}" ]]; then
nwchem-7.0.1/src/util/util_scalapack_info.bash:3: DIRUTIL=`dirname "$0"`
nwchem-7.0.1/src/util/util_scalapack_info.bash-4- MYPWD=`pwd`
nwchem-7.0.1/src/util/util_scalapack_info.bash:5: NWCHEM_TOP=`echo ${MYPWD}/${DIRUTIL} | sed -e 's/\/src.*//' `
nwchem-7.0.1/src/util/util_scalapack_info.bash-6-fi
##############################################
nwchem-7.0.1/src/util/util_scalapack_info.bash-9- # script must have been specified including the path.
nwchem-7.0.1/src/util/util_scalapack_info.bash:10: path="`dirname \"$0\"`"
nwchem-7.0.1/src/util/util_scalapack_info.bash-11-else
##############################################
nwchem-7.0.1/src/util/util_scalapack_info.bash-13- # it must have been found in PATH.
nwchem-7.0.1/src/util/util_scalapack_info.bash:14: path="`which \"$0\"`"
nwchem-7.0.1/src/util/util_scalapack_info.bash:15: path="`dirname \"$path\"`"
nwchem-7.0.1/src/util/util_scalapack_info.bash-16-fi
##############################################
nwchem-7.0.1/src/util/util_scalapack_info.bash-21-fi
nwchem-7.0.1/src/util/util_scalapack_info.bash:22:gotscalapack=`${GA_PATH}/bin/ga-config --use_scalapack | awk ' /1/ {print ".true.";exit};{print ".false."}'`
nwchem-7.0.1/src/util/util_scalapack_info.bash-23-
##############################################
nwchem-7.0.1/src/vib/vib_zmatin.F-93-*: input elsewhere now :C INPUT OF INTERNALS REQUIRED IF COORD=UNIQUE, HINT, OR CART,
nwchem-7.0.1/src/vib/vib_zmatin.F:94:*: input elsewhere now :C BUT FOR COORD=ZMT, ZMTMPC WE CAN USE $DATA INFO INSTEAD
nwchem-7.0.1/src/vib/vib_zmatin.F-95-*: input elsewhere now :C
##############################################
nwchem-7.0.1/travis/nwchem.bashrc-60-fi
nwchem-7.0.1/travis/nwchem.bashrc:61:export NWCHEM_EXECUTABLE=$TRAVIS_BUILD_DIR/.cachedir/binaries/$NWCHEM_TARGET/nwchem_"$arch"_`echo $NWCHEM_MODULES|sed 's/ /-/g'`_"$MPI_IMPL"
##############################################
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-50-if [[ -z "${NWCHEM_TOP}" ]]; then
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix:51: DIRQA=`dirname "$0"`
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-52- MYPWD=`pwd`
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix:53: NWCHEM_TOP=`echo ${MYPWD}/${DIRQA} | sed -e 's/\/QA.*//' `
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-54-fi
##############################################
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-179- TESTDIR=${TEST}
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix:180: STUB=`basename ${TEST}`
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-181-#
##############################################
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-184- if [ ! -d $TEST ]; then
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix:185: TESTDIR=`echo $TEST | sed 's+/[^/]*$++'`
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-186- fi
##############################################
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-226- MRINPUTFILE=${STUB}.mri
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix:227: TOPOLOGYFILE=`echo $STUB.top | sed 's/_.*\././'`
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix:228: PDBFILE=`echo $STUB.pdb | sed 's/_.*\././'`
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-229-#
##############################################
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-460-# echo "doing ls -l " ${STUB}.ok.q ${STUB}.q
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix:461: # echo `ls -l ${STUB}.ok.q ${STUB}.q`
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-462- rm -f esp_temp.ok.q esp_temp.q
##############################################
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-492- echo -n " verifying topology ... "
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix:493: ttt=`diff -w ${STUB}.ok.tst ${TOPOLOGYFILE} | wc -l`
nwchem-7.0.1/.pc/15_testsuite_print_output_on_failure.patch/QA/runtests.mpi.unix-494- if [ $ttt -eq 4 ]; then