From 39b70460567bfa042abd21d6d60877d706d609a5 Mon Sep 17 00:00:00 2001 From: edoapra Date: Tue, 5 Dec 2017 17:49:25 -0800 Subject: [PATCH] USE_NOIO=1, added MPI-MT --- .travis.yml | 3 +++ travis/nwchem.bashrc | 1 + travis/run_qas.sh | 4 ++-- 3 files changed, 6 insertions(+), 2 deletions(-) diff --git a/.travis.yml b/.travis.yml index f55f9d6497..8ccc7bcdad 100644 --- a/.travis.yml +++ b/.travis.yml @@ -16,6 +16,9 @@ env: - NWCHEM_MODULES=qmandpw ARMCI_NETWORK=MPI-PT MPI_IMPL="mpich" + - NWCHEM_MODULES=qmandpw + ARMCI_NETWORK=MPI-MT + MPI_IMPL="mpich" - NWCHEM_MODULES=tce ARMCI_NETWORK=MPI-TS MPI_IMPL="openmpi" diff --git a/travis/nwchem.bashrc b/travis/nwchem.bashrc index bb3f98aefc..9f83ed33ec 100644 --- a/travis/nwchem.bashrc +++ b/travis/nwchem.bashrc @@ -22,6 +22,7 @@ if [[ "$os" == "Linux" ]]; then export LD_LIBRARY_PATH=$TRAVIS_BUILD_DIR/lib:$LD_LIBRARY_PATH fi export OMP_NUM_THREADS=1 +export USE_NOIO=1 export BLAS_SIZE=4 export SCALAPACK_SIZE=4 export USE_PYTHONCONFIG=y diff --git a/travis/run_qas.sh b/travis/run_qas.sh index 6448ab5eef..3080e54397 100755 --- a/travis/run_qas.sh +++ b/travis/run_qas.sh @@ -17,10 +17,10 @@ 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_he2+ prop_mep_gcube - cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs cosmo_h2o_dft h2o_opt - 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 cosmo_h2o_dft cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs pspw if [[ "$ARMCI_NETWORK" != "MPI-PT" ]] || [[ "$os" == "Darwin" && "$ARMCI_NETWORK" != "MPI-PR" ]]; then + cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs dft_siosi3 h2o_opt cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs tddft_h2o h2o2-response cd $NWCHEM_TOP/QA && USE_SLEEPLOOP=1 ./runtests.mpi.unix procs $nprocs pspw_md fi