From 485742a58dca4ee0f9a02eace6a458c76e34cd4f Mon Sep 17 00:00:00 2001
From: Sebastian Grimberg <sjg@amazon.com>
Date: Tue, 9 Apr 2024 18:26:23 -0700
Subject: [PATCH] Fix executable script wrapper for Slurm jobs

---
 scripts/palace | 18 ++++++++----------
 1 file changed, 8 insertions(+), 10 deletions(-)

diff --git a/scripts/palace b/scripts/palace
index 2dacfda8f..78fb340e7 100755
--- a/scripts/palace
+++ b/scripts/palace
@@ -146,28 +146,26 @@ else
     fi
 
     # Run parallel simulation
+    NODE_FILE=mpi_nodes
     if [[ -n "$PBS_NODEFILE" ]]; then
         # PBS/Torque job
-        NODE_LIST=$PBS_NODEFILE
-        SUBMIT_DIR=$PBS_O_WORKDIR
+        cat $PBS_NODEFILE | sort | uniq > $NODE_FILE
+        WORK_DIR=$PBS_O_WORKDIR
     elif [[ -n "$SLURM_JOB_NODELIST" ]]; then
         # Slurm job
-        NODE_LIST=$SLURM_JOB_NODELIST
-        SUBMIT_DIR=$SLURM_SUBMIT_DIR
+        scontrol show hostnames $SLURM_JOB_NODELIST > $NODE_FILE
+        WORK_DIR=$SLURM_SUBMIT_DIR
     else
-        NODE_LIST=""
-        WORKDIR=""
+        WORK_DIR=""
     fi
-    if [[ -z "$NODE_LIST" ]]; then
+    if [[ -z "$WORK_DIR" ]]; then
         # Local execution
         echo ">> $MPIRUN $PALACE $CONFIG"
         $MPIRUN $PALACE $CONFIG
         EXIT_CODE=$?
     else
-        NODE_FILE=mpi_nodes
-        cat $NODE_LIST | sort | uniq > $NODE_FILE
         echo The master node of this job is `hostname`
-        echo The working directory is `echo $SUBMIT_DIR`
+        echo The working directory is `echo $WORK_DIR`
         echo This job runs on the following nodes: && cat $NODE_FILE
         MPIRUN="$MPIRUN --hostfile $NODE_FILE"