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Update hpc.sh

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This script is for the distributed parallel computing and theoretical calculations.
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epitaxy
2022-06-03 15:49:48 +09:00
committed by GitHub
parent 1a6d81ca59
commit 39448792db
1 changed files with 3 additions and 1 deletions
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hpc.sh
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@@ -1,3 +1,5 @@
#!/bin/sh
# Install the required packages # Install the required packages
sudo apt install slurm-client mpi-default-bin slurm-wlm-torque 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/' export ESPRESSO_PSEUDO='/mnt/hpc/pseudo/'
# Conda environment # 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