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added pyqa3 test

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edoapra 2019-09-23 21:04:23 -07:00
parent 32dcfd3408
commit a883fa60cb
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2 changed files with 5 additions and 2 deletions
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2
.travis.yml
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@ -10,7 +10,7 @@ env:
- NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-TS MPI_IMPL="openmpi"
- NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-TS MPI_IMPL="mpich"
- NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PR MPI_IMPL="openmpi"
- NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PT MPI_IMPL="mpich"
- NWCHEM_MODULES="tinyqmpw python" ARMCI_NETWORK=MPI-PT MPI_IMPL="mpich"
- NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-PT MPI_IMPL="mpich" USE_SIMINT=1 SIMINT_MAXAM=3
- NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI-MT MPI_IMPL="mpich"
- NWCHEM_MODULES=tinyqmpw ARMCI_NETWORK=MPI3 MPI_IMPL="mpich"

5
travis/run_qas.sh
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@ -55,7 +55,10 @@ set -ev
head -2 $TRAVIS_BUILD_DIR/QA/testoutputs/dft_he2+.out
tail -20 $TRAVIS_BUILD_DIR/QA/testoutputs/dft_he2+.out
cd $TRAVIS_BUILD_DIR/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs cosmo_h2o_dft
cd $TRAVIS_BUILD_DIR/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs pspw
cd $TRAVIS_BUILD_DIR/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs pspw
if [[ "$NWCHEM_MODULES" == "tinyqmpw python" ]]; then
cd $TRAVIS_BUILD_DIR/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs pyqa3
fi
if [[ "$do_largeqas" == 1 ]]; then
cd $TRAVIS_BUILD_DIR/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs dft_siosi3 h2o_opt
cd $TRAVIS_BUILD_DIR/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs tddft_h2o h2o2-response