[gmx-users] GROMACS in parallel on Dual CPU Linux machine

David spoel at xray.bmc.uu.se
Mon May 19 23:51:01 CEST 2003

On Mon, 2003-05-19 at 22:58, Pratul K. Agarwal wrote:
> On 20 May 2003, David wrote:
> > What kernel are you running? (uname -a)
> 2.4.18-3smp
should be fine afaik
> > kernel. Other problem could be that the machine gets too hot...
> Interesting! I have made sure that the machine is in 
> properly cooled environment. The serial jobs works fine, its 
> only the parallel jobs which have problems. Even 2-4 serial 
> jobs work fine when they are run at the same time so I am 
> not entirely convinced that this might be a heating issue 
> (or maybe it is).
ok, that seems to be under control. Could you be more specific on the

It's always useful to compile manually too.
(lam, fftw, gromacs)
just to be certain.

If you want to try that, then please notice that fftw version 3 is not
supported yet.

> Has anybody seen this before (the effect of temperature on 
> parallel jobs)?
> Thanks
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
Groeten, David.
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

More information about the gromacs.org_gmx-users mailing list