Update deploy.sh for exp/0.17.3/gpu/dev

sdsc · Sep 19, 2024 · 2401787 · 2401787
1 parent 0ee7e36
commit 2401787
Showing 1 changed file with 3 additions and 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
@@ -133,9 +133,11 @@ INTELMPI_JOB_ID="$(sbatch --dependency="afterok:${GCC_JOB_ID}" '[email protected]
 
 cd "${SLURM_SUBMIT_DIR}/specs/[email protected]/[email protected]"
 BOOST_JOB_ID="$(sbatch --dependency="afterok:${INTELMPI_JOB_ID}:${NUMPY_JOB_ID}" '[email protected]' | grep -o '[[:digit:]]*')"
-GROMACS_JOB_ID="$(sbatch --dependency="afterok:${CUDA_JOB_ID}:${FFTW_JOB_ID}:${INTELMPI_JOB_ID}:${OPENBLAS_JOB_ID}" '[email protected]' | grep -o '[[:digit:]]*')"
+#CHARMPP_JOB_ID="$(sbatch --dependency="afterok:${INTELMPI_JOB_ID}" '[email protected]' | grep -o '[[:digit:]]*')"
+#  NAMD2_JOB_ID="$(sbatch --dependency="afterok:${CHARMPP_JOB_ID}:${FFTW_JOB_ID}" '[email protected]' | grep -o '[[:digit:]]*')"
 FFTW_JOB_ID="$(sbatch --dependency="afterok:${INTELMPI_JOB_ID}" '[email protected]' | grep -o '[[:digit:]]*')"
   FFTW_OMP_JOB_ID="$(sbatch --dependency="afterok:${INTELMPI_JOB_ID}" '[email protected]' | grep -o '[[:digit:]]*')"
+GROMACS_JOB_ID="$(sbatch --dependency="afterok:${CUDA_JOB_ID}:${FFTW_JOB_ID}:${INTELMPI_JOB_ID}:${OPENBLAS_JOB_ID}" '[email protected]' | grep -o '[[:digit:]]*')"
 HDF5_JOB_ID="$(sbatch --dependency="afterok:${INTELMPI_JOB_ID}" '[email protected]' | grep -o '[[:digit:]]*')"
 HPL_JOB_ID="$(sbatch --dependency="afterok:${INTELMPI_JOB_ID}:${OPENBLAS_JOB_ID}" '[email protected]' | grep -o '[[:digit:]]*')"
   HPL_I64_JOB_ID="$(sbatch --dependency="afterok:${HPL_JOB_ID}:${OPENBLAS_I64_JOB_ID}" '[email protected]' | grep -o '[[:digit:]]*')"