If anybody is interested, I have attached a configure_mpich2 script
based off of the configure_openmpi script included in the AmberTools
distribution. I have tested it on CentOS 5.4 with GNU, PGI and Intel
compilers and on Mac OS X with GNU. Results are posted on the wiki
along with results for the same setup using OpenMPI.
Like the OpenMPI script, the default is to build shared libraries.
However, this is not the default for MPICH2 and shared library support
is limited to four styles: GCC, GCC-OSX, GCC-Cygwin and Solaris. The
script attempts to automatically pick the correct style. GCC and GCC-OSX
both work for me and I have also had success with Intel compilers and
GCC style. However, AmberTools configure fails on pnetcdf and FFTW for
PGI with shared libraries.
Tyler
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Received on Tue Apr 20 2010 - 08:30:05 PDT
