#!/bin/bash

# submit script with: sbatch filename

#SBATCH -n 4				# number of processor core(tasks)
#SBATCH --ntasks-per-node=1		# tasks pre nodes
#SBATCH --mem-per-cpu=1G		# memory per CPU core
#SBATCH --time=0-00:05:00		# wall time
###SBATCH --exclusive 			# Want the node exlusively
#SBATCH -J template				# Job name
#SBATCH --output=%jtemplate.out
#SBATCH --error=%j.err
#SBATCH --mail-user=eladbi@gmail.com   # email address
#SBATCH --mail-type=ALL
#SBATCH --no-requeue			# to prevent the slurm restart after node fail !!!

echo "Starting at `date`"
echo "Job name: $SLURM_JOB_NAME JobID: $SLURM_JOB_ID"
echo "Running on hosts: $SLURM_NODELIST"
echo "Running on $SLURM_NNODES nodes."
echo "Running on $SLURM_NPROCS processors."
echo "Running for $time d-h:m:s"
echo "Current working directory is `pwd`"
echo "# of particles" `wc particles_autopick_class2d2.star` # chang star name to get number of particle

setpkgs -a openmpi_1.8.4
setpkgs -a relion_1.4


### change the number of -np and insert command ###
set -v
mpirun -np 4  echo relion
set +v 

echo "Program finished with exit code $? at: `date`"