From ea84b242a9da4f9badabaf993545b76a23796117 Mon Sep 17 00:00:00 2001
From: Han Lin Mai <h.mai@mpie.de>
Date: Tue, 1 Oct 2024 14:56:53 +0200
Subject: [PATCH] Revert "queues"

This reverts commit 2f5d3aafaee5637be76a434a3581835c08317067.
---
 diff_hpc_templates/australia_nci_gadi.sh      | 15 --------------
 diff_hpc_templates/australia_nci_gadi_gpu.sh  | 20 -------------------
 .../australia_pawsey_setonix.sh               | 20 -------------------
 3 files changed, 55 deletions(-)
 delete mode 100644 diff_hpc_templates/australia_nci_gadi.sh
 delete mode 100644 diff_hpc_templates/australia_nci_gadi_gpu.sh
 delete mode 100644 diff_hpc_templates/australia_pawsey_setonix.sh

diff --git a/diff_hpc_templates/australia_nci_gadi.sh b/diff_hpc_templates/australia_nci_gadi.sh
deleted file mode 100644
index cea1db9..0000000
--- a/diff_hpc_templates/australia_nci_gadi.sh
+++ /dev/null
@@ -1,15 +0,0 @@
-#!/bin/bash
-  
-#PBS -l walltime=1:00:00
-#PBS -l mem=10gb
-#PBS -l ncpus=8
-#PBS -l software=vasp
-#PBS -l wd
-  
-# Load module, always specify version number.
-module load vasp/5.4.4
-  
-# Must include `#PBS -l storage=scratch/ab12+gdata/yz98` if the job
-# needs access to `/scratch/ab12/` and `/g/data/yz98/`
-  
-mpirun vasp_std >vasp.log
\ No newline at end of file
diff --git a/diff_hpc_templates/australia_nci_gadi_gpu.sh b/diff_hpc_templates/australia_nci_gadi_gpu.sh
deleted file mode 100644
index 489a320..0000000
--- a/diff_hpc_templates/australia_nci_gadi_gpu.sh
+++ /dev/null
@@ -1,20 +0,0 @@
-#!/bin/bash
-  
-#PBS -P a99
-#PBS -q gpuvolta
-#PBS -l ncpus=24
-#PBS -l ngpus=2
-#PBS -l walltime=1:00:00
-#PBS -l mem=32GB
-#PBS -l jobfs=1GB
-#PBS -l wd
-  
-# Load module, always specify version number.
-module load lammps/15Sep2022
-  
-# Must include `#PBS -l storage=scratch/ab12+gdata/yz98` if the job
-# needs access to `/scratch/ab12/` and `/g/data/yz98/`
-  
-ngpus=$(( PBS_NGPUS<4?PBS_NGPUS:4 ))
-  
-mpirun -np $PBS_NCPUS lmp_openmpi -sf gpu -pk gpu $ngpus -i input_filename > output
\ No newline at end of file
diff --git a/diff_hpc_templates/australia_pawsey_setonix.sh b/diff_hpc_templates/australia_pawsey_setonix.sh
deleted file mode 100644
index dbbde61..0000000
--- a/diff_hpc_templates/australia_pawsey_setonix.sh
+++ /dev/null
@@ -1,20 +0,0 @@
-#!/bin/bash -l
-##SBATCH --nodes=1
-#SBATCH --ntasks=32
-#SBATCH --ntasks-per-node=32
-#SBATCH --cpus-per-task=1
-#SBATCH --account=pawsey0380
-#SBATCH --job-name=TSR_RATTLE_struct_1871_2_Mn_8.sh
-#SBATCH --time=4:00:00
-#SBATCH --partition=work
-#SBATCH --export=NONE
-#SBATCH --mem=32GB
-##SBATCH --exclusive
-
-module load vasp/5.4.4
-cd "$PBS_O_WORKDIR"
-
-ulimit -s unlimited
-run_cmd="srun --export=ALL -N 1 -n 32"
-
-$run_cmd vasp_std &> vasp.log