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trying to guess NWCHEM_TOP

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edoapra 2019-09-10 22:39:39 -07:00
parent c7c90b6e78
commit 0cd2aea437
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5
QA/runtests.mpi.unix
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@ -30,6 +30,11 @@
# A subdirectory of the current directory named scratchdir is deleted
# and remade for each calculation, and deleted at job end.
if [[ -z "${NWCHEM_TOP}" ]]; then
DIRQA=`dirname "$0"`
MYPWD=`pwd`
NWCHEM_TOP=`echo ${MYPWD}/${DIRQA} | sed -e 's/\/QA.*//' `
fi
# A subdirectory of the current directory name testoutputs is made
# if necessary and all outputs are routed there. Existing outputs
# are overwritten. The name of the output file is formed by replacing

5
QA/runtests.mpi.unix.docker
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@ -35,6 +35,11 @@
# are overwritten. The name of the output file is formed by replacing
# the trailing .nw with .out. In this directory is also put the
# output of nwparse for the verified and the test outputs.
if [[ -z "${NWCHEM_TOP}" ]]; then
DIRQA=`dirname "$0"`
MYPWD=`pwd`
NWCHEM_TOP=`echo ${MYPWD}/${DIRQA} | sed -e 's/\/QA.*//' `
fi
if ($#argv == 0) then