mirror of
https://gitlab.com/scemama/qp_plugins_scemama.git
synced 2024-07-25 20:27:35 +02:00
27 lines
474 B
Bash
27 lines
474 B
Bash
#!/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
|
|
|