[gmx-users] Number of nodes

Justin A. Lemkul jalemkul at vt.edu
Mon Oct 31 13:17:41 CET 2011

Kavyashree M wrote:
> Dear Users,
> I was trying to run a simulation (gromacs4.5.3)
> on a Bluegene/L machine. But I was unable to run.
> System admin say that I need to change the input
> file. I am not sure what needs to be changed in the
> input file which specifies no. of nodes usage.

Sounds like your system admin should be offering you some more help, since they 
know the specifics of the hardware, queuing software, etc.

> I am not familiar with the bluegene machines. Kindly
> suggest the possible solutions.

Without seeing your input file(s), there's nothing anyone can do.  Be mindful 
that this list pertains to Gromacs-specific problems, which do not seem to be 
present here.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list