# 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