mirror of
https://github.com/epitaxy/charms.git
synced 2025-12-07 00:15:55 +09:00
29 lines
873 B
Bash
29 lines
873 B
Bash
#!/bin/sh
|
|
|
|
# Install the required packages
|
|
sudo apt install slurm-client mpi-default-bin slurm-wlm-torque
|
|
|
|
# THis is workaround using MKL library in AMD node
|
|
export MKL_DEBUG_CPU_TYPE=5
|
|
export MKL_CBWR=AUTO
|
|
|
|
# For WSL2
|
|
#export DISPLAY=$(awk '/nameserver / {print $2; exit}' /etc/resolv.conf 2>/dev/null):0
|
|
#export DISPLAY=$(cat /etc/resolv.conf | grep nameserver | awk '{print $2}'):0
|
|
#export LIBGL_ALWAYS_INDIRECT=1
|
|
|
|
# This is workaround for QE-GPU edition to work with NVHPC
|
|
export CUFFT_ALLOWED_L2_CACHE=0
|
|
export OMP_NUM_THREADS=1
|
|
export OMPI_MCA_mca_btl_base_warn_component_unused=0
|
|
|
|
# remove FORTRAN STOP message when nvfortran job finishes
|
|
# It can be ignored because this is not error.
|
|
export NO_STOP_MESSAGE=1
|
|
|
|
# For Quantum Espresso
|
|
export ESPRESSO_PSEUDO='/mnt/hpc/pseudo/'
|
|
|
|
# Conda environment
|
|
export PATH=/home/$USER/miniconda3/bin:/mnt/hpc/pkgs/pwtk-2.0:$PATH
|