Add test case A job script supermuc-NG

specfem3d/job_script/job_supermuc-ng_test_case_A.slurm

+#!/bin/bash
+#SBATCH -J Test_case_A
+#SBATCH --nodes=12
+#SBATCH --ntasks-per-node=8
+#SBATCH --cpus-per-task=6
+#SBATCH --time=01:00:00
+#SBATCH --no-requeue
+#SBATCH --account=pn73ve
+#SBATCH --partition=micro #general # insert test, micro, general, large or fat
+#SBATCH -o ./%x-12Nodes-6OMP-%j.out
+#set -e
+source ../env/env_supermuc-ng
+cat ../env/env_supermuc-ng
+grep "^[^#;]" ../env/env_supermuc-ng
+cat job_supermuc-ng_test_case_A.slurm
+echo "=========="
+echo "config.log"
+echo "=========="
+cat $install_dir/TestCaseA/specfem3d_globe/config.log
+echo "========"
+echo "make.log"
+echo "========"
+cat $install_dir/TestCaseA/specfem3d_globe/make.log
+echo "========"
+echo "Par_file"
+echo "========"
+cat $install_dir/TestCaseA/specfem3d_globe/DATA/Par_file
+
+module load slurm_setup
+
+cd $install_dir/TestCaseA/specfem3d_globe
+
+#Make sure that OMP_NUM_THREADS / KMP_HW_SUBSET = cpus-per-task
+export KMP_HW_SUBSET=1T
+export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}
+#export KMP_AFFINITY=granularity=core,compact
+export FORT_BUFFERED=true
+export FORT_BLOCKSIZE=16777216
+
+ulimit -s unlimited
+
+export LIBRARY_PATH=$LD_LIBRARY_PATH
+echo "LD_LIBRARY_PATH = $LD_LIBRARY_PATH"
+
+MESHER_EXE=./bin/xmeshfem3D
+SOLVER_EXE=./bin/xspecfem3D
+
+# backup files used for this simulation
+cp DATA/Par_file OUTPUT_FILES/
+cp DATA/STATIONS OUTPUT_FILES/
+cp DATA/CMTSOLUTION OUTPUT_FILES/
+##
+## mesh generation
+##
+sleep 2
+
+echo
+echo `date`
+echo "starting MPI mesher"
+echo
+
+MPI_PROCESS=` echo "$SLURM_NNODES*$SLURM_NTASKS_PER_NODE" | bc -l`
+echo "SLURM_NTASKS_PER_NODE = " $SLURM_NTASKS_PER_NODE
+echo "SLURM_CPUS_PER_TASKS = " $SLURM_CPUS_PER_TASK
+echo "SLURM_NNODES=" $SLURM_NNODES
+echo "MPI_PROCESS $MPI_PROCESS"
+echo "OMP_NUM_THREADS=$OMP_NUM_THREADS"
+
+time mpiexec -np ${MPI_PROCESS} ${MESHER_EXE}
+echo "  mesher done: `date`"
+echo
+
+##
+## forward simulation
+##
+sleep 2
+
+echo
+echo `date`
+echo starting run in current directory $PWD
+echo
+time mpiexec -np ${MPI_PROCESS}  ${SOLVER_EXE}
+
+echo "finished successfully"
+echo "====================="
+echo `date`
+ls -lrth $install_dir/TestCaseA/specfem3d_globe/OUTPUT_FILES/output_*.txt
+cat $install_dir/TestCaseA/specfem3d_globe/OUTPUT_FILES/output_mesher.txt
+cat $install_dir/TestCaseA/specfem3d_globe/OUTPUT_FILES/output_solver.txt