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Re: [ESPResSo] MPI issue

From: Kai Grass
Subject: Re: [ESPResSo] MPI issue
Date: Thu, 4 Oct 2007 10:05:05 +0200

Hi Tristan,

thanks again for the config-log. The solution you found (renaming the folder) is in fact solving your problem, but as you might have guessed it is not the optimal way ;)

Am 03.10.2007 um 18:03 schrieb Tristan Bereau:

Compiler settings:
MPI                     = mpich
compiler                = mpicc
linker                  = mpicc
c compiler flags        = -finline-limit=1000000 -fomit-frame-pointer
-funroll-loops -floop-optimize -ffast-math -Wall -Wno-unused-function
-O3 -malign-double -msse2 -mfpmath=sse -march=nocona
c preprocessor flags    =  -I/opt/mpich/include
linker flags            =  -L/opt/mpich/ch-p4/lib
libraries               = -lfftw3  -ltcl8.4  -lmpich -lm
using debug flags       = no
using profiling flags   = no
inline                  =

I think the problem comes from the 'MPI = mpich' line. Even if mpicc is
set in the environment by OpenMPI (I checked using a 'which' command),
ESPResSo links to 'mpich' in the directory /opt/mpich.

This is the "problem". Configure finds a working mpich library on your system and chooses that one as default option. (After renaming, it doesn't find it anymore ... so everything is fine now)

I just discovered right now that mpich and openMPI are two different
programs, so I'm guessing I had mpich by default on my computer and it's
just not compatible with ESPResSo...

Yes, they are. And especially the mpirun of OpenMPI doesn't work with the mpich-library.

OpenMPI is supported by the "generic mpi" interface, but in configure, mpich has precedence over generic. You can force the generic interace to be used by using the configure flag with-mpi, i.e.:

./configure --with-mpi=generic

This disables the "guessing" for the correct mpi libraries and should resolve your problem without renaming the folder.

Enjoy using Espresso,


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