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debu mpipr failures; added USE_SLEEPLOOP env. variable in runtests.mpi.unix

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edoapra 2017-12-04 15:17:39 -08:00
parent 4c30f9c7df
commit 3837e43da2
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GPG key ID: 79CA3F28FF1B91CE
3 changed files with 18 additions and 10 deletions
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1
.travis.yml
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@ -39,4 +39,5 @@ after_failure:
- grep -i tce_energy $TRAVIS_BUILD_DIR/src/6log
- grep d= $TRAVIS_BUILD_DIR/QA/testoutputs/dft_he2+.out
- grep @ $TRAVIS_BUILD_DIR/QA/testoutputs/h2o_opt.out
- cat d= $TRAVIS_BUILD_DIR/QA/testoutputs/dft_he2+.out

16
QA/runtests.mpi.unix
View file

@ -285,7 +285,7 @@ foreach TEST_in ($args_2_use)
if (-f $TESTOUTPUTS/$STUB.out) /bin/rm -f $TESTOUTPUTS/$STUB.out
echo " running nwchem ($NWCHEM)"
echo " running nwchem ($NWCHEM) with "$NPROC" processors "
set x="%Uu %Ss %E %P (%Xt+%Dds+%Kavg+%Mmax)k %Ii+%Oo %Fpf %Wswaps"
set time=(1 "$x")
@ -299,8 +299,11 @@ sync
if($md_test_run) then
if ($NPROC) then
if ($NONSTD_MPI) then
$MPIRUN $NWCHEM $INPUTFILE >& $OUTPUTFILE
$NWCHEM_TOP/QA/sleep_loopqa.sh $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE $OUTPUTFILE
if (! $?USE_SLEEPLOOP) then
$MPIRUN $NWCHEM $INPUTFILE >& $OUTPUTFILE
else
$NWCHEM_TOP/QA/sleep_loopqa.sh $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE $OUTPUTFILE
endif
@ runstatus = $status
else
$MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE >& $OUTPUTFILE
@ -340,8 +343,11 @@ $NWCHEM_TOP/QA/sleep_loopqa.sh $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE
@ runstatus = $status
else
# In the case of standard MPI we construct the appropriate command here.
$NWCHEM_TOP/QA/sleep_loopqa.sh $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE $OUTPUTFILE
# $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE >& $TESTOUTPUTS/$OUTPUTFILE
if (! $?USE_SLEEPLOOP) then
$MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE >& $TESTOUTPUTS/$OUTPUTFILE
else
$NWCHEM_TOP/QA/sleep_loopqa.sh $MPIRUN $NPOPT $NPROC $NWCHEM $INPUTFILE $OUTPUTFILE
endif
@ runstatus = $status
endif
else

11
travis/run_qas.sh
View file

@ -6,10 +6,11 @@
nprocs=3
fi
if [[ "$NWCHEM_MODULES" == "tce" ]]; then
cd $NWCHEM_TOP/QA && ./runtests.mpi.unix procs $nprocs tce_n2 tce_ccsd_t_h2o tce_h2o_eomcc
cd $NWCHEM_TOP/QA && ./runtests.mpi.unix procs $nprocs tce_ipccsd_f2 tce_eaccsd_ozone
cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs tce_n2 tce_ccsd_t_h2o tce_h2o_eomcc
cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs tce_ipccsd_f2 tce_eaccsd_ozone
else
cd $NWCHEM_TOP/QA && ./runtests.mpi.unix procs $nprocs dft_siosi3
cd $NWCHEM_TOP/QA && ./runtests.mpi.unix procs $nprocs h2o_opt dft_he2+ cosmo_h2o_dft tddft_h2o h2o2-response
cd $NWCHEM_TOP/QA && ./runtests.mpi.unix procs $nprocs pspw pspw_md
cd $NWCHEM_TOP/QA && ./runtests.mpi.unix procs $nprocs dft_he2+
cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs h2o_opt cosmo_h2o_dft tddft_h2o h2o2-response
cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs dft_siosi3
cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs pspw pspw_md
fi