Add GPU shared mode support to quickrun.sbatch

- Enabled shared GPU compute mode by adding the `#SBATCH --gpu_cmode=shared` directive.
- Included comments to clarify the purpose of the new setting and provide a reference for users regarding GPU compute modes.

Author: FridrichMethod

scripts/openfe/quickrun.sbatch

@@ -9,10 +9,14 @@
 #SBATCH --ntasks-per-node=1
 #SBATCH --cpus-per-task=6
 #SBATCH --gpus=1
+#SBATCH --gpu_cmode=shared
 #SBATCH --mem=12G
 #SBATCH --constraint="GPU_SKU:A100_PCIE|GPU_SKU:A100_SXM4|GPU_SKU:A40|GPU_SKU:H100_SXM5|GPU_SKU:H200_SXM5|GPU_SKU:L40S|GPU_SKU:V100_PCIE|GPU_SKU:V100S_PCIE|GPU_SKU:V100_SXM2"
 #SBATCH --time=2-00:00:00
 
+# Here we enable default mode so that multiple contexts are allowed per device
+# See https://www.sherlock.stanford.edu/docs/user-guide/gpu/#gpu-compute-modes
+
 set -euo pipefail
 
 OPENFE_CONTAINER=/scratch/groups/ayting/containers/openfe/openfe_latest-apptainer.sif