From 6c0152350bcc69df4a39676def09539e4b81f641 Mon Sep 17 00:00:00 2001
From: ocaisa <alan.ocais@cecam.org>
Date: Wed, 1 May 2024 17:22:10 +0200
Subject: [PATCH] Delete GROMACS/slurm-job-1node-12cores.sh

---
 GROMACS/slurm-job-1node-12cores.sh | 25 -------------------------
 1 file changed, 25 deletions(-)
 delete mode 100644 GROMACS/slurm-job-1node-12cores.sh

diff --git a/GROMACS/slurm-job-1node-12cores.sh b/GROMACS/slurm-job-1node-12cores.sh
deleted file mode 100644
index 6fab83c..0000000
--- a/GROMACS/slurm-job-1node-12cores.sh
+++ /dev/null
@@ -1,25 +0,0 @@
-#!/bin/bash
-#SBATCH --job-name=EESSI-demo-GROMACS
-#SBATCH --nodes=1
-#SBATCH --ntasks=1
-#SBATCH --cpus-per-task=12
-#SBATCH --time=01:00:00
-#SBATCH --export=NONE
-
-cd $SLURM_SUBMIT_DIR
-
-source /cvmfs/pilot.eessi-hpc.org/latest/init/bash
-
-module load GROMACS/2020.1-foss-2020a-Python-3.8.2
-
-if [ ! -f GROMACS_TestCaseA.tar.gz ]; then
-  curl -OL https://repository.prace-ri.eu/ueabs/GROMACS/1.2/GROMACS_TestCaseA.tar.gz
-fi
-if [ ! -f ion_channel.tpr ]; then
-  tar xfz GROMACS_TestCaseA.tar.gz
-fi
-
-rm -f ener.edr logfile.log
-
-# note: downscaled to just 1k steps (full run is 10k steps)
-time gmx mdrun -ntmpi 1 -ntomp $SLURM_CPUS_PER_TASK -s ion_channel.tpr -maxh 0.50 -resethway -noconfout -nsteps 1000 -g logfile