From eb886ed8ff1addbad59d372a05b17107059c7b08 Mon Sep 17 00:00:00 2001 From: ltimmerman3 Date: Tue, 19 Nov 2024 13:30:14 -0500 Subject: [PATCH] Removing submission file --- examples/submit.sbatch | 63 ------------------------------------------ 1 file changed, 63 deletions(-) delete mode 100644 examples/submit.sbatch diff --git a/examples/submit.sbatch b/examples/submit.sbatch deleted file mode 100644 index 7e512740..00000000 --- a/examples/submit.sbatch +++ /dev/null @@ -1,63 +0,0 @@ -#!/bin/bash -#SBATCH --job-name=socket_tests -#SBATCH --account=gts-amedford6 -#SBATCH --mail-user=ltimmerman3@gatech.edu -#SBATCH -N 1 --ntasks-per-node=24 -#SBATCH --mem-per-cpu=7G -#SBATCH --time=8:00:00 -#SBATCH --output=Report_%A-%a.out -#SBATCH -qembers - -cd $SLURM_SUBMIT_DIR -source ~/.bashrc -source env.sh - -# cd socket/singlepoint -# python run.py > run.out -# cd $SLURM_SUBMIT_DIR - -# cd socket/relax/ab-initio/cell -# python run.py > run.out -# cd $SLURM_SUBMIT_DIR - -# cd socket/relax/ab-initio/coords -# python run.py > run.out -# cd $SLURM_SUBMIT_DIR - -# cd socket/relax/mlff/coords -# python run.py > run.out -# cd $SLURM_SUBMIT_DIR - -# cd socket/md/ab-initio/ase -# python run.py > run.out -# cd $SLURM_SUBMIT_DIR - -# cd socket/md/ab-initio/plumed -# python run.py > run.out -# cd $SLURM_SUBMIT_DIR - -# cd socket/md/mlff/plumed -# python run.py > run.out -# cd $SLURM_SUBMIT_DIR - -# FileIO - -# cd FileIO/relax/relax_cell/ab-initio -# python run.py > run.out -# cd $SLURM_SUBMIT_DIR - -# cd FileIO/relax/relax_coords/ab-initio -# python run.py > run.out -# cd $SLURM_SUBMIT_DIR - -# cd FileIO/relax/relax_coords/mlff -# python run.py > run.out -# cd $SLURM_SUBMIT_DIR - -# cd FileIO/md/ab-initio -# python run.py > run.out -# cd $SLURM_SUBMIT_DIR - -cd FileIO/md/mlff -python run.py > run.out -cd $SLURM_SUBMIT_DIR \ No newline at end of file