[gmx-users] info about gpus
pbuscemi at q.com
Fri Feb 1 16:58:12 CET 2019
I’ve run these conditions recently. The scale from as single 1080ti to 2080ti is proportional to the core number. the increase I’ve seen with 1080+1080 is 1.3-1.5 times as fast and perhaps 1.3 -1.6 times as fast depending on the model. In a million atom membrane model the two 1080ti’s ran at 12 ns/d in an equilibrated npt and the 1080ti +2080ti at ~15 ns day. In either case more than enough time to go get some coffee.
Personally i feel that unless you are building really large systems ( 10+ GPU’s ) and are working with models under about 200k atoms, then the two 1080ti are just fine. Don’t expect a doubling on any case. Unless you are really strapped for time using two 1080’s may work. going from 150 ns/day to 200 is a good time saver for smaller systems.
If you Google gromac benchmarks you will find several articles on the issue.
> On Feb 1, 2019, at 5:58 AM, Szilárd Páll <pall.szilard at gmail.com> wrote:
> It greatly depends what your use-case is, i.e. simulation system and
> type of study (but if you want to scale I assume you want few longer
> On Thu, Jan 31, 2019 at 6:17 PM Stefano Guglielmo
> <stefano.guglielmo at unito.it> wrote:
>> Dear all,
>> I am tryin to set a new workstation and I would like to know if there is a
>> significant improvement in performance with two gpus (gtx 1080 ti or rtx
>> 2080) rather than just one, and eventually with which cpu/ram requisite.
>> Thanks in advance for any advice and suggestions
>> Stefano GUGLIELMO PhD
>> Assistant Professor of Medicinal Chemistry
>> Department of Drug Science and Technology
>> Via P. Giuria 9
>> 10125 Turin, ITALY
>> ph. +39 (0)11 6707178
>> priva di virus. www.avast.com
>> 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-request at gromacs.org.
> 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-request at gromacs.org.
More information about the gromacs.org_gmx-users