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

sunita at chem.iitb.ac.in sunita at chem.iitb.ac.in
Wed Feb 13 11:20:39 CET 2008


>
>
> ----- 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 .....

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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