diff --git a/hpc.sh b/hpc.sh new file mode 100644 index 0000000..4b86a87 --- /dev/null +++ b/hpc.sh @@ -0,0 +1,22 @@ +# THis is workaround using MKL library in AMD PC +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 $2}'):0 +#export LIBGL_ALWAYS_INDIRECT=1 + +# This is workaround for QE-GPU edition to work with NVHPC +export CUFFT_ALLOWED_L2_CACHE=0 +export OMP_NUM_THREADS=1 +export OMPI_MCA_mca_btl_base_warn_component_unused=0 + +# remove FORTRAN STOP message when nvfortran job finishes +export NO_STOP_MESSAGE=1 + +# For Quantum Espresso +export ESPRESSO_PSEUDO='/mnt/hpc/pseudo/' + +# Conda environment +export PATH=/home/ican/miniconda3/bin:/mnt/hpc/pkgs/pwtk-2.0:$PATH