v3.3 beta errors was [gmx-users] Scaling on SGI Altix 3700 Bx2

Berk Hess gmx3 at hotmail.com
Tue Jul 5 09:08:16 CEST 2005

> > >And this is what mdrun gives.
> > >-------------------------------------------------------
> > >Program mdrun, VERSION 3.3_beta_20050202
> > >Source code file: nsgrid.c, line: 220
> > >
> > >Fatal error:
> > >Number of grid cells is zero. Probably the system and box collapsed.
> > >
> > >-------------------------------------------------------
> > When does it give this?
> > At step 0?
>I believe so.  This comes after it says "starting mdrun" then on the
>next line it lists the number of steps the sim is to be run for and the
>simulation time, then comes out the above error, a line of the "quotes",
>"halting program mdrun" then some MPI errors .....
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I just found out that I had put a bug in the last CVS commit of clincs.c.
I have fixed it.
After a CVS update it should work.


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