SDSC Expanse

Installation on SDSC Expanse

Load necessary modules

 module load gcc 
 module load cmake/3.21.4 mvapich2/2.3.7 hdf5/1.10.7 eigen/3.4.0 openblas/dynamic/0.3.7
  • Notice that we use mvapich2 as an MPI implementation
  • We strongly advice you to use openblas/dynamic/0.3.7 module for BLAS implementation. Other BLAS modules cause errors when combined with Eigen.

Download Green Many-Body framework and create build directory

 git clone
 cd green-mbpt
 mkdir build
 cd build

Build code

 CC=mpicc CXX=mpicxx cmake .. -DCMAKE_BUILD_TYPE=Release
 make -j 8 && make test
  • Make sure to specify CC=mpicc and CXX=mpicxx, HDF5 library headers include <mpi.h> if MPI module is loaded even if your code does not use MPI.