From 39448792db9af01e2a54a00585a0a13a8cff0e13 Mon Sep 17 00:00:00 2001 From: epitaxy <31850335+epitaxy@users.noreply.github.com> Date: Fri, 3 Jun 2022 15:49:48 +0900 Subject: [PATCH] Update hpc.sh This script is for the distributed parallel computing and theoretical calculations. --- hpc.sh | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/hpc.sh b/hpc.sh index 2106a67..c7c33fb 100644 --- a/hpc.sh +++ b/hpc.sh @@ -1,3 +1,5 @@ +#!/bin/sh + # Install the required packages sudo apt install slurm-client mpi-default-bin slurm-wlm-torque @@ -23,4 +25,4 @@ export NO_STOP_MESSAGE=1 export ESPRESSO_PSEUDO='/mnt/hpc/pseudo/' # Conda environment -export PATH=/home/$user/miniconda3/bin:/mnt/hpc/pkgs/pwtk-2.0:$PATH +export PATH=/home/$USER/miniconda3/bin:/mnt/hpc/pkgs/pwtk-2.0:$PATH