[gmx-users] Compiling GMX with MPICH.

Alan Wilter Sousa da Silva alan at biof.ufrj.br
Thu Mar 7 20:04:43 CET 2002

Hi, I need to compile GMX in a cluster running MPICH.  Since I intend to
run jobs in parallel using PME how can I cope with FFTW library since I
have only fftw-2.1.3-2 and fftw-devel-2.1.3-2 installed (not fftw-lammpi).
Reading in http://www.gromacs.org/download/other_software.php I think
I found antagonistic recommendations:

*An MPI library if you want to run in parallel.
[...] package, but MPICH should also work fine. [...]

*FFTW Instead of writing our own [...]
If you want to run in parallel you also need MPI support for FFTW: [...]

Do I have to compile my own FFTW for MPICH?

Many thanks in advance.

Alan Wilter S. da Silva
 Laboratório de Física Biológica
  Instituto de Biofísica Carlos Chagas Filho
   Universidade do Brasil/UFRJ
    Rio de Janeiro, Brasil

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