Try it with an 8 angstrom cut off and see if that helps. We are seeing
issues right now with larger cutoffs.
> -----Original Message-----
> From: Bill Miller III [mailto:billymiller.ufl.edu]
> Sent: Friday, December 03, 2010 2:21 PM
> To: AMBER Developers Mailing List
> Subject: Re: [AMBER-Developers] pmemd.cuda.MPI error
>
> Ross,
>
> I just tried running the same system with pmemd.cuda.MPI without
> restraints,
> and I got the same behavior. The same error occurred after 15 steps.
>
> -Bill
>
> On Fri, Dec 3, 2010 at 5:20 PM, Bill Miller III
<brmilleriii.gmail.com>wrote:
>
> > Ross,
> >
> > I just tried running the same system with pmemd.cuda.MPI without
> > restraints, and I got the same behavior. The same error occurred after
15
> > steps.
> >
> > -Bill
> >
> >
> > On Fri, Dec 3, 2010 at 5:17 PM, Jason Swails
> <jason.swails.gmail.com>wrote:
> >
> >> On Fri, Dec 3, 2010 at 5:10 PM, Ross Walker <ross.rosswalker.co.uk>
> >> wrote:
> >>
> >> > Hi Bill,
> >> >
> >> > > I have recently been running MD with a recently checked out version
> of
> >> > > Amber
> >> >
> >> > Can you confirm what you mean by 'recent'? This problem may have
> been
> >> fixed
> >> > with bugfix.11. Can you also try running without the restraints and
see
> >> if
> >> >
> >>
> >> It's my build on lincoln. The last git commit id was 55886d20e, on
Mon.,
> >> 11/29. I don't think I've seen any cuda traffic on the CVS mailing
list
> >> since then.
> >>
> >> All the best,
> >> Jason
> >>
> >>
> >> > the problem still occurs.
> >> >
> >> > All the best
> >> > Ross
> >> >
> >> > /\
> >> > \/
> >> > |\oss Walker
> >> >
> >> > ---------------------------------------------------------
> >> > | Assistant Research Professor |
> >> > | San Diego Supercomputer Center |
> >> > | Adjunct Assistant Professor |
> >> > | Dept. of Chemistry and Biochemistry |
> >> > | University of California San Diego |
> >> > | NVIDIA Fellow |
> >> > | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
> >> > | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> >> > ---------------------------------------------------------
> >> >
> >> > Note: Electronic Mail is not secure, has no guarantee of delivery,
may
> >> not
> >> > be read every day, and should not be used for urgent or sensitive
> >> issues.
> >> >
> >> >
> >> >
> >> >
> >> >
> >> > _______________________________________________
> >> > AMBER-Developers mailing list
> >> > AMBER-Developers.ambermd.org
> >> > http://lists.ambermd.org/mailman/listinfo/amber-developers
> >> >
> >>
> >>
> >>
> >> --
> >> Jason M. Swails
> >> Quantum Theory Project,
> >> University of Florida
> >> Ph.D. Graduate Student
> >> 352-392-4032
> >> _______________________________________________
> >> AMBER-Developers mailing list
> >> AMBER-Developers.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber-developers
> >>
> >
> >
> >
> > --
> > Bill Miller III
> >
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Graduate Student
> > 352-392-6715
> >
>
>
>
> --
> Bill Miller III
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-6715
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
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Received on Fri Dec 03 2010 - 15:00:03 PST
