From fee17d7b77986dca03aab862257a78f66bf5b064 Mon Sep 17 00:00:00 2001
From: mcgratta <mcgratta@gmail.com>
Date: Mon, 29 Jul 2024 15:33:47 -0400
Subject: [PATCH] qfds.sh: do not explicitly ask for number of nodes

---
 Utilities/Scripts/qfds.sh | 16 +++++++++++++---
 1 file changed, 13 insertions(+), 3 deletions(-)

diff --git a/Utilities/Scripts/qfds.sh b/Utilities/Scripts/qfds.sh
index 211c63b0159..ef5b784908f 100755
--- a/Utilities/Scripts/qfds.sh
+++ b/Utilities/Scripts/qfds.sh
@@ -363,30 +363,40 @@ cat << EOF > $scriptfile
 EOF
 
 if [ "$RESOURCE_MANAGER" == "SLURM" ]; then
+
 cat << EOF >> $scriptfile
 #SBATCH -J $JOBPREFIX$infile
 #SBATCH -e $outerr
 #SBATCH -o $outlog
 #SBATCH --partition=$queue
 #SBATCH --ntasks=$n_mpi_processes
-#SBATCH --nodes=$nodes
 #SBATCH --cpus-per-task=$n_openmp_threads
-#SBATCH --ntasks-per-node=$n_mpi_processes_per_node
 #SBATCH --time=$walltime
 EOF
+
+if [[ $n_openmp_threads -gt 1 ]] || [[ $max_mpi_processes_per_node -lt 1000 ]] ; then
+cat << EOF >> $scriptfile
+#SBATCH --nodes=$nodes
+#SBATCH --ntasks-per-node=$n_mpi_processes_per_node
+EOF
+fi
+
 if [ "$EMAIL" != "" ]; then
-    cat << EOF >> $scriptfile
+cat << EOF >> $scriptfile
 #SBATCH --mail-user=$EMAIL
 #SBATCH --mail-type=ALL
 EOF
 fi
+
 if [ "$benchmark" == "yes" ]; then
 cat << EOF >> $scriptfile
 #SBATCH --exclusive
 #SBATCH --cpu-freq=Performance
 EOF
 fi
+
 else # PBS/Torque
+
 cat << EOF >> $scriptfile
 #PBS -N $JOBPREFIX$infile
 #PBS -e $outerr