Merge pull request ICESEE-project#46 from ICESEE-project/develop

runscript for jobs with spack controlling the environment

Author: KYANJO

applications/issm_model/examples/ISMIP_Choi/run_job_spack.sbatch

@@ -0,0 +1,45 @@
+#!/bin/bash
+#SBATCH -t25:00:00
+#SBATCH -JISMIP
+#SBATCH -N 4
+#SBATCH -n 96
+#SBATCH --ntasks-per-node=24
+#SBATCH -p cpu-large                 # pick ONE partition; or switch to: -p inferno
+#SBATCH --mem=256G                   # ensure this is allowed per node on that partition
+#SBATCH -A gts-arobel3-atlas
+#SBATCH -ostrong_scaling-%j.out
+#SBATCH --mail-type=BEGIN,END,FAIL
+#SBATCH --mail-user=bkyanjo3@gatech.edu
+
+# set -euo pipefail
+cd $SLURM_SUBMIT_DIR
+
+# Spack env (numpy, mpi4py, h5py, etc.)
+module purge || true
+source /storage/home/hcoda1/8/bkyanjo3/r-arobel3-0/ICESEE-Spack/scripts/activate.sh
+MPI_DIR="$(spack -e /storage/home/hcoda1/8/bkyanjo3/r-arobel3-0/ICESEE-Spack/.spack-env/icesee location -i openmpi)"
+export PATH="$MPI_DIR/bin:$PATH"
+export LD_LIBRARY_PATH="$MPI_DIR/lib:$LD_LIBRARY_PATH"
+
+# --- Test Matrix ------------------------------------------------------
+np = 8
+NENS=40
+MODEL_NPROCS=2
+
+run_case () {
+  local np="$1"
+  local tag="np${np}_Nens${NENS}_mp${MODEL_NPROCS}"
+
+  /usr/bin/time -v \
+    srun --mpi=pmix -n "$np" \
+    python run_da_issm.py \
+      --Nens=${NENS} \
+      --model_nprocs=${MODEL_NPROCS} \
+      --verbose
+
+  echo "=== Finished: $tag ==="
+}
+
+# call the function with the specified number of processes
+run_case "$np"
+