[gmx-users] gromacs parallel doesn't work

[Beniamino Sciacca]

I never used mprun -np 2, and I had not problem. Before I didn't use "mprun
-np 2", now I don't use "mprun -np 2" but simulation time now is twice. It
has changed from a day to the other.
However I've just tried, like you suggested,  to use " -np 2" (in grompp and
in mdrun) but I obtain an error:
-------------------------------------------
"Program mdrun_d, VERSION 3.3.1
Source code file: init.c, line: 69

Fatal error:
run input file DNA8_mdEq.tpr was made for 2 nodes,
             while mdrun_d expected it to be for 1 nodes.
"
-------------------------------------------
In fact I've only one node.

Laptop should be running in top speed, I never modified the configuration of
energy profile.
Beniamino


2006/6/3, Yang Ye <leafyoung81-group at yahoo.com>:
>
> First, make sure that you used mdrun -np 2.
> Second, check your energy profile. Is your laptop running in top speed?
> or does it have sleep time?
>
> Yang Ye
>
> Beniamino Sciacca wrote:
> > I don't understand what you talking about...
> > I didn't write any hostfile.... I'm not in a cluster. I only use my
> > notebook with the two cores.
> > In fact I type "lamboot" without -v.......
> >
> > Beniamino
> >
> > Mark Abraham ha scritto:
> >> Did your default LAM hostfile configuration (or whatever it is)
> >> change from 2 processors to one?
> >>
> >> Mark
> >> _______________________________________________
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>
> --
> /Regards,/
> Yang Ye
> /Computational Biology Lab
> School of Biological Sciences
> Nanyang Technological University
> Singapore
> Tel: 6316-2884
> /
>
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