updated launch script for Optistruct 2024.1

apps/Optistruct/Optistruct.2024_1.sbatch

@@ -0,0 +1,64 @@
+#!/bin/bash
+#SBATCH --exclusive
+#SBATCH -t 99:00:00
+#SBATCH --nodes=2
+#SBATCH --ntasks=128
+#SBATCH --constraint=hpc6id.32xlarge
+#SBATCH --partition=hpc6id
+
+
+export I_MPI_OFI_LIBRARY_INTERNAL=0
+#module load intelmpi
+export I_MPI_FABRICS=shm:ofi
+export I_MPI_OFI_PROVIDER=efa
+export FI_EFA_FORK_SAFE=1
+#export I_MPI_MULTIRAIL=1
+module load libfabric-aws
+export I_MPI_DEBUG=5
+
+OPTISTRUCT_VER="2024.1"
+INPUT_FILE=${2:-"/path/to/Engine_Assy.fem"}
+export ALTAIR_HOME="/fsx/Altair"
+export RADFLEX_PATH="${ALTAIR_HOME}/${OPTISTRUCT_VER}/altair/hwsolvers/common/bin/linux64"
+export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:${RADFLEX_PATH}
+
+export TOKEN=$(curl -s -X PUT "http://169.254.169.254/latest/api/token" -H "X-aws-ec2-metadata-token-ttl-seconds: 21600")
+instanceType=$(curl -s -H "X-aws-ec2-metadata-token: $TOKEN" http://169.254.169.254/latest/meta-data/instance-type)
+
+export ALM_HHWU=T
+export ALM_HHWU_TOKEN=$(aws secretsmanager get-secret-value --secret-id arn:xxx --query SecretString --output text --region xxx)
+export ALM_HHWU_USE_WININET=1
+
+basedir="/fsx/${SLURM_JOB_NAME%.*}"
+INPUT_DIR="${basedir}/Model"
+export workdir="${basedir}/Run/${INPUT_FILE%.*}/${SLURM_JOB_ID}-${SLURM_JOB_NUM_NODES}x${instanceType}-${SLURM_NPROCS}-$(date '+%d-%m-%Y-%H-%M')"
+
+export NTHREADS=${1:-"8"}
+export MPI_PROC=$((SLURM_NPROCS / NTHREADS))
+
+mkdir -p "${workdir}" && cd "${workdir}"
+
+cp $0 .
+ln -s ${INPUT_DIR}/* .
+
+## USE INTERNAL NVME DISK ONLY IF IT EXISTS, OTHERWISE USE THE SHARED DIR (FSx)
+SCRATCH_BASE=$(mount | grep ephemeral | awk '{print $3}')
+if [[ $? != 0 ]]; then
+    echo "Scratch failed."
+    exit 1
+elif [[ $SCRATCH_BASE ]]; then
+    export SCRATCH_DIR="${SCRATCH_BASE}/scratch-$SLURM_JOB_ID"
+    mkdir -p "${SCRATCH_DIR}"
+    export TMPDIR="${SCRATCH_DIR}"
+else
+    export SCRATCH_DIR="${workdir}/scratch/scratch-$SLURM_JOB_ID"
+    mkdir -p "${SCRATCH_DIR}"
+    export TMPDIR="${SCRATCH_DIR}"
+fi
+
+scontrol show nodes $SLURM_NODELIST | grep NodeHostName= | awk '{print $2}' | sed 's/NodeHostName=//' >hostfile
+
+mpirun -n $SLURM_JOB_NUM_NODES --map-by ppr:1:node /bin/bash -c "sync && echo 3 | sudo tee /proc/sys/vm/drop_caches"
+mpirun -n $SLURM_JOB_NUM_NODES --map-by ppr:1:node /bin/bash -c "echo always | sudo tee /sys/kernel/mm/transparent_hugepage/enabled"
+
+"${ALTAIR_HOME}/${OPTISTRUCT_VER}/altair/scripts/optistruct" ${INPUT_FILE} -mpipath /opt/intel/mpi/2021.13/bin -mpi i -ddm -np $MPI_PROC -nt ${NTHREADS} -hostfile hostfile -core in -tmpdir "${SCRATCH_DIR}" -out -outfile output.txt