[gmx-users] mdrun crash when -np 8, not when -np 4

Malcolm Gillies malcolm.b.gillies at anu.edu.au
Mon Aug 25 08:43:01 CEST 2003

On Fri, 2003-08-22 at 16:48, David van der Spoel wrote:
> On Fri, 2003-08-22 at 04:35, Malcolm Gillies wrote:
> > I have an mdrun job which crashes when I attempt to run it over 8
> > processors, but which appears to run fine with 4 processors. Any
> > suggestions?
> Could it be that you have no water left on processor 0 (which is where I
> presume that the problem occurs)?
> This is a known bug, which has not been resolved completely yet.

Indeed, there are no water molecules left on processor 0:

    There are 0 optimized solvent molecules on node 0
    There are 0 optimized water molecules on node 0

Is there a workaround for this problem?



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