Yes, try dividing by 4 on a 1 GB card. It ought to get just enough room...
On Sun, Aug 21, 2011 at 1:58 PM, filip fratev <filipfratev.yahoo.com> wrote:
> Hi Scott,
> > Try my patch. And if that doesn't work, divide by 4 instead of 2...
>
> You mean what you suggest me last night or it is something new?
>
> >gpu->sim.randomSteps = MAX_RANDOM_STEPS / 2;
>
> Filip
>
>
>
> ________________________________
> From: Scott Le Grand <varelse2005.gmail.com>
> To: AMBER Mailing List <amber.ambermd.org>
> Sent: Sunday, August 21, 2011 11:34 PM
> Subject: Re: [AMBER] Major GPU Update Released
>
> Try my patch. And if that doesn't work, divide by 4 instead of 2...
>
> Plenty of headroom here to experiment... Though you guys really need to
> spend a little more money on your GPUs IMO... This is just getting silly
> if
> you ask me (not that you did)...
>
>
> On Sun, Aug 21, 2011 at 1:27 PM, Dmitry Mukha <dvmukha.gmail.com> wrote:
>
> > 1GB on board
> >
> > 51092 atoms
> > 46110 atoms belong to water (15370 molecules)
> > 4976 atoms of protein (2503 heavy atoms)
> >
> > BEFORE APPLYING THE PATCH pmemd.cuda had performance 3.84 ns/day (285)
> and
> > slightly more than 12 ns for 580.
> > NOW launch failed (segfault)
> >
> > Langevin thermostat (2 ps-1) + pressure control (relaxation time 2 ps).
> > Switching to Berendsen thermostat (and removing gamma_ln) allows to
> execute
> > pmemd.cuda successfully. Again, this system plays a role of test, because
> > it
> > ran well before.
> >
> > Previous version printed error message about lack of memory in cases when
> > system was too large, so the error I have faced is definitely new. 'Line
> 9'
> > in the error message corresponds to the code of executable file, not
> script
> > (it is occurred in the line 18 of bash script).
> >
> > 2011/8/21 Scott Le Grand <varelse2005.gmail.com>
> >
> > > Questions:
> > > GPU? Assuming 285 with 2 GB? (don't actually have one anymore as they
> > all
> > > died of old age)
> > > Number of atoms?
> > >
> > > > >
> > > > > In my case GPU memory isn't loaded very much. nvidia-smi reports
> > about
> > > > 16%
> > > > is utilized with ntt=1, that means it will be enough space on board.
> > > tests
> > > > were passed (if memory amount was sufficient), but simulations that
> > went
> > > > fine previously now do not (re-)launch because of that segfault...
> > > > Amber11 / at15 / patches till 17th...
> > > >
> > >
> > --
> > Sincerely,
> > Dmitry Mukha
> > Institute of Bioorganic Chemistry, NAS, Minsk, Belarus
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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Received on Sun Aug 21 2011 - 15:00:02 PDT
