Dear Amber users,
I compiled AMBER 11 / AmberTools 1.5 on a new cluster (AMD, Inifiniband,
x86_64, gcc 4.4.5)... As discussed some weeks ago on this list I needed
to configure with "-nopython" for a successful compilation.
When running the parallel tests, the mmpbsa_py tests fail because the
module "mpi4py" could not be imported. As I configured with "-nopython"
I assume mmpbsa is trying to use the system python (version 2.6). I
looked at installing this module but it seems that the module is bound
to a certain MPI version (against which was built).
I would like to test 2 different MPI versions (openmpi, mvapich2) and
different compilers (gcc, intel). Therefore I do not want to have a
system mpi4py built against a specific MPI. Is it possible to build a
system mpi4py that would run with any MPI version or do I need to
install separate mpi4py modules for each MPI ?
Thanks for shading light on this
Best wishes
Vlad
--
Dr. Vlad Cojocaru
Max Planck Institute for Molecular Biomedicine
Department of Cellular and Developmental Biology
Roentgenstrasse 20
48149 Muenster, Germany
tel: +49-251-70365-324
fax: +49-251-70365-399
email: vlad.cojocaru[at]mpi-muenster.mpg.de
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Received on Sat Jan 14 2012 - 15:00:02 PST
