[gmx-users] Number of nodes

[Justin A. Lemkul]

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

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================