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Image parallelization testing 

Following the QE dev meeting, addition of 1 test for the image parallelization in ph.x
This commit is contained in:
Samuel Ponce 2021-11-12 14:35:29 +01:00
parent 057ba43373
commit ddb2f68620
4 changed files with 1061 additions and 7 deletions
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2
test-suite/jobconfig
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@ -71,7 +71,7 @@ inputs_args = ('scf-dos-1.in' ,'1'), ('scf-dos-2.in' ,'2')
[ph_base/]
program = PH
inputs_args = ('c.scf.in', '1'), ('c.phG.in', '2'), ('ni.scf.in', '1'), ('ni.phX.in', '2'), ('si.scf.in', '1'), ('si.phG.in', '2'), ('si.phX.in', '2'), ('nipaw.scf.in', '1'), ('nipaw.phX.in', '2')
inputs_args = ('c.scf.in', '1'), ('c.phG.in', '2'), ('ni.scf.in', '1'), ('ni.phX.in', '2'), ('si.scf.in', '1'), ('si.phG.in', '2'), ('si.phX.in', '2'), ('si.ph.in', '8'), ('nipaw.scf.in', '1'), ('nipaw.phX.in', '2')
[ph_metal/]
program = PH

1032
test-suite/ph_base/benchmark.out.git.inp=si.ph.in.args=8 Normal file
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13
test-suite/ph_base/si.ph.in Normal file
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@ -0,0 +1,13 @@
phonons of Si
&inputph
tr2_ph=1.0d-16,
prefix='silicon',
epsil=.true.,
ldisp=.true.,
amass(1)=28.08,
fildyn='si.dyn.xml',
fildvscf='dvscf',
nq1=2,
nq2=2,
nq3=2
/

21
test-suite/run-ph.sh
View File

@ -10,18 +10,18 @@
if [[ $QE_USE_MPI == 1 ]]; then
export PARA_PREFIX="mpirun -np ${TESTCODE_NPROCS}"
export PARA_SUFFIX=" "
export PARA_SUFFIX_image=" -nimage 2"
else
unset PARA_PREFIX
unset PARA_SUFFIX
unset PARA_SUFFIX_image
fi
# echo $0" "$@
if [[ "$1" == "1" ]]
then
echo "Running PW ..."
# echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} < $2 > $3 2> $4"
${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x ${PARA_SUFFIX} < $2 > $3 2> $4
# echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x < $2 > $3 2> $4"
${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/pw.x < $2 > $3 2> $4
if [[ -e CRASH ]]
then
cat $3
@ -29,8 +29,8 @@ then
elif [[ "$1" == "2" ]]
then
echo "Running PH ..."
# echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ph.x ${PARA_SUFFIX} < $2 > $3 2> $4"
${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ph.x ${PARA_SUFFIX} < $2 > $3 2> $4
# echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ph.x < $2 > $3 2> $4"
${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ph.x < $2 > $3 2> $4
if [[ -e CRASH ]]
then
cat $3
@ -80,5 +80,14 @@ then
then
cat $3
fi
elif [[ "$1" == "8" ]]
then
echo "Running PH ..."
# echo "${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ph.x ${PARA_SUFFIX_image} < $2 > $3 2> $4"
${PARA_PREFIX} ${ESPRESSO_ROOT}/bin/ph.x ${PARA_SUFFIX_image} < $2 > $3 2> $4
if [[ -e CRASH ]]
then
cat $3
fi
fi