[gmx-users] Re: wierd behavior of mdrun
Vitaly V. Chaban
vvchaban at gmail.com
Thu Aug 27 21:01:16 CEST 2009
Then I believe you have problems with MPI.
Before I experienced something alike on our old system - serial
version worked OK but parallel one failed. The same issue was with
CPMD by the way. Another programs worked fine. I didn't correct that
On Thu, Aug 27, 2009 at 7:14 PM, Paymon Pirzadeh<ppirzade at ucalgary.ca> wrote:
> it works when it is run on one processor interactively!
> On Thu, 2009-08-27 at 09:23 +0300, Vitaly V. Chaban wrote:
>> > I made a .tpr file for my md run without any problems (using the bottom
>> > mdp file). My job submission script is also the same thing I used for
>> > other jobs which had no problems. But now when I submit this .tpr file,
>> > only an empty log file is generated! The qstat of the cluster shows that
>> > the job is running, also the processors are 100% engaged while I have no
>> > outputs!
>> A standard guess: what about trying to run the single-processor job on
>> the same cluster? Does it run OK?
More information about the gromacs.org_gmx-users