# set up system to compile on Centos73 / compile04
export LD_LIBRARY_PATH=/mnt/lustre/apps/centos73/nexus/4.4.3/lib64:/mnt/lustre/apps/centos73/hdf5/hdf5-1.0.2_gcc492/lib
module load mcstas/2.4.1 nexus/4.4.3 openmpi/3_0_mellanox_gcc492

# Compile McStas file
mcstas ISIS_SANS2d_Mantid.instr --trace
mcdisplay.pl ISIS_SANS2d_Mantid.instr --format=Mantid --complete -n0
mpicc -o ISIS_SANS2d_Mantid.out ISIS_SANS2d_Mantid.c  -lm -DUSE_MPI -DUSE_NEXUS -lNeXus

# Run test simulation on compile04. 
#
# NB do not use for production run. Only to test code is as expected.
#
mpirun -np 4 ./ISIS_SANS2d_Mantid.out --format=NeXus -d 1E7 --ncount=1E7 model_nr=5

# Submit job to cluster 
#
# NB SANS2D gives a lot of data. Use only 1E7 rays. Using 1E8 rays gives 1GB data file. 
#
sbatch job.batch