[gmx-users] Version error running mdrun

[Jordi Camps]

Yes! Is the system found in the benchmarck file: d.villin
(ftp://ftp.gromacs.org/pub/benchmarks/gmxbench-3.0.tar.gz), and I made it
run fine on a monoprocessor machine, P4 2.66GHz running Linux too (Linux
pluto 2.4.20-31.9 #1 Tue Apr 13 18:04:23 EDT 2004 i686 i686 i386 GNU/Linux).

-- 
Jordi Camps Puchades
Instituto Nacional de Bioinformatica (INB) Nodo Computacional GNHC-2
UPC-CIRI
c/. Jordi Girona 1-3              
Modul C6-E201                     Tel.  : 934 011 650
E-08034 Barcelona                 Fax   : 934 017 014
Catalunya (Spain)                 e-mail: jcamps at lsi.upc.edu

-----Mensaje original-----
De: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] En
nombre de David van der Spoel
Enviado el: lunes, 21 de marzo de 2005 13:20
Para: Discussion list for GROMACS users
Asunto: RE: [gmx-users] Version error running mdrun


On Mon, 2005-03-21 at 12:57 +0100, Jordi Camps wrote:
> Hello
> 
> The warnings occur with the .tpb files. They are also #processors 
> dependent: with 2 processors I get 2 warnings and the simulation 
> finish. With 1 processor I get lot of warnings and a fatal error (the 
> one that you saw). And with 4 processors I get a lot of warnings too 
> and the fatal error.
OK,

does this system run on another machine? (Pentium or something like that)?
It could be a problem in your simulation.
> 
> --
> Jordi Camps Puchades
> Instituto Nacional de Bioinformatica (INB) Nodo Computacional GNHC-2
> UPC-CIRI
> c/. Jordi Girona 1-3              
> Modul C6-E201                     Tel.  : 934 011 650
> E-08034 Barcelona                 Fax   : 934 017 014
> Catalunya (Spain)                 e-mail: jcamps at lsi.upc.edu