[EMAIL PROTECTED] wrote:
----- Original Message -----
From: [EMAIL PROTECTED]
Date: Wednesday, February 13, 2008 5:40 pm
Subject: [gmx-users] "Lam" is not required for running parallel job
To: gmx-users@gromacs.org
Dear Users,
Lam doesn't seem to be essential for running parallel job.
An MPI library is essential.
Because in one of our Xeon machine with quardcore 1.6 Ghz
processor and
with 6 nodes we installed parallel version of gromacs (version
3.3.1) and
its running without any problem. Lam is not installed in this machine
still it is running the parallel job.
How are you running grompp and mdrun, and what makes you think the
calculation is running in parallel?
I used the following command to run parallel job and tested it by
generating .tpr file for 2 nodes, 4 nodes and 6 nodes. With 6 nodes it
took least time to finish the mdjob.
grompp -np 6 -f ......
mpirun -np 6 mdrun_mpi -v -s .....
type 'which mpirun' to check which mpi library you are using. Maybe it's
mpich then.
Carsten
It seems correct to me.
What do you say?
Is it taken care in the newer gromacs version that lam is not
required?
No.
Mark
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics Department
Am Fassberg 11
37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/research/dep/grubmueller/
http://www.gwdg.de/~ckutzne
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
