Claus Valka wrote:
Hello,
I have a cluster with gromacs compiled. I would like to know which
parallel environment I'm using. The version of operating system I use is
centos version 5.1. When I open qmon and see the parallel environments
that I have at my disposal I can see:
lam
mpi
mpich
orte
I do know every command that I typed in order to compile gromacs. First
I installed fftw library and then among the various options I compiled
gromacs with --enable-mpi option. Yet I cannot make out from these
informations which parallel environment I'm using. Could I somehow find
out which one is it?
I suppose from centos info that I'm using openmpi libraries which are
the default, so mpi it is for gromacs as well?
Maybe. configure will have tried for such libraries in some order, and
accepted whatever one worked first. The most likely source of
information is your config.log file, but that might be tricky to
comprehend. Also if you have built a static executable, you can try
using something like "nm mdrun_mpi | grep MPI" and see what sorts of
function names exist.
Mark
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