ELPA-installation-guide.md

@@ -51,14 +51,14 @@ make install
 ```bash
 module load intel/19.0.5
 module load mkl/19.0.5
-module load openmpi/3.1.6/intel19.0.5-cuda10.2
 module load cuda/10.2
+module load intmpi/19.0.5
 
 # go to ELPA distribution directory
 
 mkdir build && cd build
 
-../configure --prefix="/work/TDSLDA20/share/elpa" --enable-openmp --enable-static CC=mpicc FC=mpifort CPP=cpp FCPP=cpp  LIBS="-lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64 -lpthread -lm -ldl  -DMKL_ILP64 -mkl=cluster"  FCFLAGS="-DMKL_ILP64 -mkl=cluster -qopenmp -O3 -xAVX2" CFLAGS="-DMKL_ILP64 -mkl=cluster -qopenmp -O3 -xAVX2" --enable-gpu --with-cuda-path=${CUDA_PATH} --with-GPU-compute-capability=sm_60 
+../configure --prefix="/work/TDSLDA20/share/elpa" --enable-static CC=mpiicc FC=mpiifort CPP=cpp FCPP=cpp  LIBS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl -mkl=cluster"  FCFLAGS="-mkl=cluster -O3 -xAVX2" CFLAGS="-mkl=cluster -qopenmp -O3 -xAVX2" --enable-gpu --with-cuda-path=${CUDA_PATH} --with-GPU-compute-capability=sm_60
 
 make