#!/bin/bash
#SBATCH --job-name=RSVD
#SBATCH --output=%x_%j.out
#
#SBATCH --mail-type=ALL
#SBATCH --mail-user=aammar@irsamc.ups-tlse.fr
#
#SBATCH -N 1
#SBATCH -n 1
#SBATCH -c 1
#SBATCH -t 250:00:00
#SBATCH -p xeonv2
###SBATCH --exclusive
#
#
#
srun hostname
echo "Running on `hostname`"
#
echo "Kicking off $SLURM_NPROCS compute servers on $SLURM_NNODES nodes"
echo "Nodes are\n `scontrol show hostname`"
#
source ~/qmcchem/qmcchemrc
#
python perform_RSVD.py >> RSVD_py.out