From 240178753af7fcc7b08359a9d28af69857ee3ec3 Mon Sep 17 00:00:00 2001 From: Marty Kandes Date: Wed, 18 Sep 2024 18:20:39 -0700 Subject: [PATCH] Update deploy.sh for exp/0.17.3/gpu/dev --- etc/spack/sdsc/expanse/0.17.3/gpu/dev/deploy.sh | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/etc/spack/sdsc/expanse/0.17.3/gpu/dev/deploy.sh b/etc/spack/sdsc/expanse/0.17.3/gpu/dev/deploy.sh index cb440e238ea70f..7e00c9f52bb786 100644 --- a/etc/spack/sdsc/expanse/0.17.3/gpu/dev/deploy.sh +++ b/etc/spack/sdsc/expanse/0.17.3/gpu/dev/deploy.sh @@ -133,9 +133,11 @@ INTELMPI_JOB_ID="$(sbatch --dependency="afterok:${GCC_JOB_ID}" 'intel-mpi@2019.1 cd "${SLURM_SUBMIT_DIR}/specs/gcc@10.2.0/intel-mpi@2019.10.317" BOOST_JOB_ID="$(sbatch --dependency="afterok:${INTELMPI_JOB_ID}:${NUMPY_JOB_ID}" 'boost@1.77.0.sh' | grep -o '[[:digit:]]*')" -GROMACS_JOB_ID="$(sbatch --dependency="afterok:${CUDA_JOB_ID}:${FFTW_JOB_ID}:${INTELMPI_JOB_ID}:${OPENBLAS_JOB_ID}" 'gromacs@2022.6.sh' | grep -o '[[:digit:]]*')" +#CHARMPP_JOB_ID="$(sbatch --dependency="afterok:${INTELMPI_JOB_ID}" 'charmpp@6.10.2.sh' | grep -o '[[:digit:]]*')" +# NAMD2_JOB_ID="$(sbatch --dependency="afterok:${CHARMPP_JOB_ID}:${FFTW_JOB_ID}" 'namd@2.14.sh' | grep -o '[[:digit:]]*')" FFTW_JOB_ID="$(sbatch --dependency="afterok:${INTELMPI_JOB_ID}" 'fftw@3.3.10.sh' | grep -o '[[:digit:]]*')" FFTW_OMP_JOB_ID="$(sbatch --dependency="afterok:${INTELMPI_JOB_ID}" 'fftw@3.3.10-omp.sh' | grep -o '[[:digit:]]*')" +GROMACS_JOB_ID="$(sbatch --dependency="afterok:${CUDA_JOB_ID}:${FFTW_JOB_ID}:${INTELMPI_JOB_ID}:${OPENBLAS_JOB_ID}" 'gromacs@2022.6.sh' | grep -o '[[:digit:]]*')" HDF5_JOB_ID="$(sbatch --dependency="afterok:${INTELMPI_JOB_ID}" 'hdf5@1.10.7.sh' | grep -o '[[:digit:]]*')" HPL_JOB_ID="$(sbatch --dependency="afterok:${INTELMPI_JOB_ID}:${OPENBLAS_JOB_ID}" 'hpl@2.3.sh' | grep -o '[[:digit:]]*')" HPL_I64_JOB_ID="$(sbatch --dependency="afterok:${HPL_JOB_ID}:${OPENBLAS_I64_JOB_ID}" 'hpl@2.3-i64.sh' | grep -o '[[:digit:]]*')"