srun or mpirun should be outside of execution script

electronic-structure · Feb 14, 2020 · 62af229 · 62af229
1 parent 9fca41a
commit 62af229
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Showing 4 changed files with 6 additions and 19 deletions.
diff --git a/ci/run-gpup-verification.sh b/ci/run-gpup-verification.sh
@@ -20,5 +20,5 @@ source ${ENVFILE}
     module list
     echo "run-gpup-verification: running on $(hostname)"
     cd ../verification
-    ./run_tests_parallel_gpu.x
+    srun -n4 -c2 --unbuffered --hint=nomultithread ./run_tests_parallel_gpu.x
 )
diff --git a/ci/run-mcp-verification.sh b/ci/run-mcp-verification.sh
@@ -1,7 +1,8 @@
 #!/bin/bash -l
 #SBATCH --job-name=sirius-mcp-tests
 #SBATCH --nodes=1
-#SBATCH --cpus-per-task=4
+#SBATCH --ntasks-per-node=4
+#SBATCH --ntasks-per-core=3
 #SBATCH --constraint=gpu
 #SBATCH --partition=cscsci
 #SBATCH --time=00:20:00
@@ -19,5 +20,5 @@ source ${ENVFILE}
     module list
     echo "run-mc-parallel-verification: running on $(hostname)"
     cd ../verification
-    ./run_tests_parallel.x
+    srun -n4 -c2 --unbuffered --hint=nomultithread ./run_tests_parallel.x
 )
diff --git a/verification/run_tests_parallel.x b/verification/run_tests_parallel.x
@@ -5,14 +5,6 @@ then
     export SIRIUS_BINARIES=$(pwd)/../build/apps/dft_loop
 fi
 
-if [[ $(type -f srun 2> /dev/null) ]]; then
-    SRUN_CMD="srun -u -n4 -c2"
-else
-    SRUN_CMD="mpirun -np 4"
-fi
-
-
-
 exe=${SIRIUS_BINARIES}/sirius.scf
 # check if path is correct
 type -f ${exe} || exit 1
@@ -22,7 +14,7 @@ for f in ./*; do
         echo "running '${f}'"
         (
             cd ${f}
-            ${SRUN_CMD} ${exe} \
+            ${exe} \
                 --test_against=output_ref.json \
                 --control.std_evp_solver_name=scalapack \
                 --control.gen_evp_solver_name=scalapack \

diff --git a/verification/run_tests_parallel_gpu.x b/verification/run_tests_parallel_gpu.x
@@ -5,12 +5,6 @@ then
     export SIRIUS_BINARIES=$(pwd)/../build/apps/dft_loop
 fi
 
-if [[ $(type -f srun 2> /dev/null) ]]; then
-    SRUN_CMD="srun -n4 -c2 --unbuffered --hint=nomultithread"
-else
-    SRUN_CMD="mpirun -np 4"
-fi
-
 exe=${SIRIUS_BINARIES}/sirius.scf
 # check if path is correct
 type -f ${exe} || exit 1
@@ -20,7 +14,7 @@ for f in ./*; do
         echo "running '${f}'"
         (
             cd ${f}
-            ${SRUN_CMD} ${exe} \
+            ${exe} \
                 --test_against=output_ref.json \
                 --control.std_evp_solver_name=scalapack \
                 --control.gen_evp_solver_name=scalapack \