[gmx-users] ssh on parallel machine for mdrun: any way for background execution of the command?

[Luca Mollica]

Dear all,

I am trying to test GROMACS 3.X performance on an IBM PPC64 we have 
recently got in our institute: we have successfully installed GROMACS 
parallel version (we use MYRINET) and I'm trying to monitor the 
performance and start the first simulations. Evereything seems to be 
fine, but I don't understand how to run the simulation using SSH being 
also able, at the same time, to log out from the system after I have 
lauched the calculation without stopping it.

I start the simulation with the following command (8 CPU):

mpirun -np 8 -nolocal -nopoll mdrun -s MD_prova -np 8 -v

and I can read the number of steps, the expectation time, etc ...

I have tried some tips I have found in the mailing list about this 
problem, but no one was successful (at / nohup / ...): I think that I 
should be able to run BOTH in the background mpirun and mdrun, by how ?

Thank you very much

L



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Luca Mollica
Dulbecco Telethon Institute (Biomolecular NMR Lab)

DIBIT-HSR,Via Olgettina 58, 1B4
20132 Milano (Italy)

Tel: 0039-02-26434824(Office)/26433497(Lab)
Fax: 0039-02-26434153
E-mail: mollica.luca#hsr.it
	luca_mollica#virgilio.it

Il mondo non è perfetto.
In un mondo perfetto Mark Chapman avrebbe ucciso Yoko Ono.

(Daniele Luttazzi)

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