namd/bluegeneQ

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Mon Aug 05 2013 - 12:48:07 CDT

Hello:
I came across a namdWiki for bluegene/L
<http://www.ks.uiuc.edu/Research/namd/wiki/?NamdOnBlueGene>. Is
anything related for blugene/Q? Or merely indications for both
general MD and PARALLEL TEMPERING (system of 500,000 atoms).

I already have the system running correctly general MD on a CPU-GPU,
shared mem machine and believe the flags are about optimal in that
context.

Of course, my aim is to get the most from my budget for BGQ,
especially with P.T., which I can't assess on my machine.

Thanks
francesco pietra

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