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In order to use mpi4py on Piz Daint, you will need to install it using the cray compiler, which will include and link it to the correct cray-mpich header files and libraries.
Step-by-step guide
- Create and activate your python virtual enviroment e.g.: as described here: https://user.cscs.ch/tools/interactive/python/#python-virtual-environments
- Install mpi4py using a cray compiler by defining the
MPICCenvironment variable:MPICC=cc pip install -U mpi4py
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Without the correct compiler you will probably get compilation errors when running `pip install mpi4py`, e.g.: fatal error: mpi.h: No such file or directory |
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