[AMBER] GPU version availability on Gordon-SDSC and Kraken NICS

From: Senthil Natesan <sen.natesan.yahoo.com>
Date: Thu, 23 May 2013 10:39:28 -0700 (PDT)

Hi,

Can someone let me know if GPU version of PMEMD is available on Gordon-SDSC or/and Kraken-NICS ?
I am planning to run MD of a system (size ~ 20000 atoms) for 10 ns. It would be very helpful if you can give some guidance on optimal cores/processor numbers on these systems.

Any example batch script would be appreciated.

Thanks,

Senthil
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 23 2013 - 11:00:02 PDT