[gmx-users] "Lam" is not required for running parallel job

[Carsten Kutzner]

sunita at chem.iitb.ac.in wrote:
>>
>> ----- Original Message -----
>> From: sunita at chem.iitb.ac.in
>> Date: Wednesday, February 13, 2008 5:40 pm
>> Subject: [gmx-users] "Lam" is not required for running parallel job
>> To: gmx-users at 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
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> 
> 
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-- 
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