Am Mittwoch, 13. Februar 2008 schrieb [EMAIL PROTECTED]:
> grompp -np 6 -f ......
> mpirun -np 6 mdrun_mpi -v -s .....
> It seems correct to me.
> What do you say?
Gromacs does not require that LAM is the underlying MPI library used.
Here mpirun shows that it's LAM's mpirun.
~$ mpirun --help
-----------------------------------------------------------------------------
Synopsis: mpirun [options] <app>
mpirun [options] <where> <program> [<prog args>]
Description: Start an MPI application in LAM/MPI.
...
Also, you might check which mpirun and it's links, depending on the system
installation:
[EMAIL PROTECTED]:~$ which mpirun
/usr/bin/mpirun
[EMAIL PROTECTED]:~$ ls /usr/bin/mpirun
/usr/bin/mpirun
[EMAIL PROTECTED]:~$ ls -la /usr/bin/mpirun
lrwxrwxrwx 1 root root 24 2007-07-11
22:00 /usr/bin/mpirun -> /etc/alternatives/mpirun
[EMAIL PROTECTED]:~$ ls -la /etc/alternatives/mpirun
lrwxrwxrwx 1 root root 19 2007-10-23
23:54 /etc/alternatives/mpirun -> /usr/bin/mpirun.lam
Hope that helps identifying your mpi environement...
Best
Martin
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