Hi all, We're about to start a bit of a toy project to test GPU-accelerated GMX. What I have here is my old workstation (Dell Precision T3500: Quad-core Xeon W3530 @ 2.8 GHz, 12 gigs of RAM) running Linux Mint 17.1. The plan is to get something like GeForce GTX 750 ( http://www.amazon.com/GeForce-750Ti-GDDR5-Graphics-GTX750TI-OC-2GD5/dp/B00IB9P1KG/ref=sr_1_3?ie=UTF8&qid=1433529993&sr=8-3&keywords=Nvidia+GTX750 ) and maybe a new PSU.
Questions: 1. With a card like this, how much acceleration (very approximately) can we expect in a "standard" simulation (protein+lipid+water, PME electrostatics)? 2. Should we put any extra considerations into cooling? We expect week-long runs, and I am not sure these cards have this type of hardcore gaming in mind. :) Any additional comments are highly appreciated. Please keep in mind that this is a toy project to utilize an old workstation. Thank you, Alex -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
