Hi Arik,
Please send you input files. I suspect the bug is NPT + restraints which is
fixed in our development tree. Just waiting some final testing before
release.
For now you can run NVT and you should be fine.
All the best
Ross
> -----Original Message-----
> From: arikcohen [mailto:arikcohen.ucla.edu]
> Sent: Thursday, August 11, 2011 3:05 PM
> To: AMBER Mailing List
> Subject: Re: [AMBER] unspecified launch failure launching kernel
> kCalculateMolecularVirial
>
> No. just a regular enzyme-substrate calculation.
>
> Arik
>
> On 8/11/2011 3:03 PM, Scott Le Grand wrote:
> > Organic solvent or lipid bilayer simulation by any chance?
> > On Aug 11, 2011 2:59 PM, "arikcohen"<arikcohen.ucla.edu> wrote:
> >> Dear Users,
> >>
> >> While running on a GPU cluster I encountering from time time the
> >> following persistent error:
> >>
> >> *unspecified launch failure launching kernel
> kCalculateMolecularVirial*
> >>
> >> I would be most thankful for any help/suggestion you might have.
> >>
> >> Thanks,
> >>
> >> Arik
> >>
> >>
> >>
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 11 2011 - 15:30:04 PDT
