It's 743538 SIRAH particles. The memory reported is 16160 MB, non
virtualized. Using skinnb = 3 is using 9340 MB right now.
El vie, 25 jun 2021 a las 15:22, Scott Le Grand (<varelse2005.gmail.com>)
escribió:
> How many atoms? How much memory on the V100? Is it virtualized?
>
> On Fri, Jun 25, 2021 at 1:53 AM Stephan Schott <schottve.hhu.de> wrote:
>
> > Hi everyone,
> > I am playing around with a SIRAH system and just stumbled upon this
> message
> > consistently whenever I use the default skinnb value of 2, but it runs
> > without issue when it is increased to 3 for whatever reason. Just for
> some
> > info, this is on a Tesla V100, driver 460.32.03, using Amber 21 compiled
> > with CUDA 11.0 and gcc 9.3.
> > My GPU architecture knowledge is very barebones, but it seems like there
> > might be something odd going on, as I would expect more memory usage the
> > more particles are included in skinnb, right? Has this something to do
> with
> > the partitioning within the GPU memory? I would be grateful if someone
> > could tell me if I am just missing something here.
> > Best regards,
> >
> > --
> > Stephan Schott Verdugo
> > Biochemist
> >
> > Heinrich-Heine-Universitaet Duesseldorf
> > Institut fuer Pharm. und Med. Chemie
> > Universitaetsstr. 1
> > 40225 Duesseldorf
> > Germany
> > _______________________________________________
> > AMBER-Developers mailing list
> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
> >
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
--
Stephan Schott Verdugo
Biochemist
Heinrich-Heine-Universitaet Duesseldorf
Institut fuer Pharm. und Med. Chemie
Universitaetsstr. 1
40225 Duesseldorf
Germany
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Fri Jun 25 2021 - 07:00:02 PDT
