Runing YASARA on Linux's cluster with slurn.
#!/bin/bash
#SBATCH --job-name=MD46
#SBATCH --cpus-per-task=24
#SBATCH --mem=32G
#SBATCH --time=7-0
#SBATCH --qos=long
#SBATCH --output=/scratch/jant.encinar/logs/slurm-%j.out
#SBATCH --error=/scratch/jant.encinar/logs/slurm-%j.err
# Genero carpeta scratch
user=`whoami`
execution_path="/scratch/${user}/${SLURM_JOB_ID}/"
mkdir -p ${execution_path}yasara >/dev/null 2>&1
# Copio yasara
cd ${execution_path}yasara
cp -Rp /home/jant.encinar/yasara-19.12.14/* .
# Ejecuto yasara
${execution_path}yasara/yasara -txt /home/jant.encinar/runMDs/MD2020-46/_md_run-19-12-14.mcr "MacroTarget='/home/jant.encinar/runMDs/MD2020-46/MD2020-46-AD-70P-3626715'"
