#!/bin/bash
### Request two compute nodes, each with 12 MPI processes and 2 OpenMP threads per MPI process
#PBS -l select=2:ncpus=24:mpiprocs=12
#PBS -P MECH1234
#PBS -l walltime=02:00:00
#PBS -q normal
#PBS -o /home/jblogs/lustre/mfix-exa/tests/fluid/FLD03/mfix.stdout
#PBS -e /home/jblogs/lustre/mfix-exa/tests/fluid/FLD03/mfix.stderr

### Change directory to a typical test case that comes with MFix.  Obviously use your own directory. 
cd /home/jblogs/lustre/mfix-exa/tests/fluid/FLD03

### Set up the required environment
.  /home/apps/chpc/compmech/mfix-exa-25.04.1/setMfixIntel

### Set up 2 OpenMP threads per MPI process
export OMP_NUM_THREADS=2

### Find the number of MPI processes
nproc=`cat $PBS_NODEFILE | wc -l`

mpirun -iface ib0 -np $nproc mfix-exa inputs > mfix.out