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