| ... | ... | @@ -110,9 +110,8 @@ make install |
|
|
|
# Installation on [Eagle](https://wiki.man.poznan.pl/kdm/index.php?title=Eagle)
|
|
|
|
```bash
|
|
|
|
module load impi/2020.4.912
|
|
|
|
module load mkl/2020.0.4
|
|
|
|
module load cudatoolkit/8.0.61-21551265
|
|
|
|
module load gcc/4.8.2-14
|
|
|
|
module load mkl/2020.0.4
|
|
|
|
module load cuda/11.2.1_460.32.03
|
|
|
|
|
|
|
|
# get the latest version of elpa
|
|
|
|
git clone https://gitlab.mpcdf.mpg.de/elpa/elpa.git
|
| ... | ... | @@ -129,7 +128,7 @@ autoheader |
|
|
|
# prepare for building
|
|
|
|
mkdir build && cd build
|
|
|
|
|
|
|
|
../configure --prefix="/home/users/gabrielw/grant_518/project_data/share/elpa" --enable-static CXX=mpiicpc CC=mpiicc FC=mpiifort CPP=cpp FCPP=cpp LIBS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl -mkl=cluster" FCFLAGS="-mkl=cluster -O3 -xAVX2" CFLAGS="-mkl=cluster -qopenmp -O3 -xAVX2" --enable-gpu --with-cuda-path=${CUDA_PATH} --with-GPU-compute-capability=sm_60
|
|
|
|
../configure --prefix="/home/users/gabrielw/grant_518/project_data/share/elpa" --enable-static CXX=mpiicpc CC=mpiicc FC=mpiifort CPP=cpp FCPP=cpp LIBS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl -mkl=cluster" FCFLAGS="-mkl=cluster -O3 -xAVX2" CFLAGS="-mkl=cluster -qopenmp -O3 -xAVX2" --enable-gpu --with-cuda-path=${CUDA_PATH} --with-GPU-compute-capability=sm_70
|
|
|
|
|
|
|
|
# build
|
|
|
|
make
|
| ... | ... | |
