Hi Himanshu,
Unfortunately we can't do much to help without seeing your input and output
files. In particular we would need your prmtop, mdin and inpcrd files along
with the command line you used to run the calculation in order to work out
what is going on. I assume this runs fine on the CPU and the simulation is
completely stable.
Feel free to send the files to me directly if you don't want to post them to
the list.
All the best
Ross
> -----Original Message-----
> From: Himanshu Joshi [mailto:joshihardware.gmail.com]
> Sent: Monday, September 19, 2011 2:30 AM
> To: AMBER Mailing List
> Subject: Re: [AMBER] Problem with pme cuda :launching kernel
> kPMEGetGridWeights
>
> Dear AMBER Developers/Users,
> I am trying to run pmemd.cuda but it crashes after few steps with the
> error message:-
>
> Error: the launch timed out and was terminated launching kernel
> kPMEGradSum
> cudaFree GpuBuffer::Deallocate failed the launch timed out and was
> terminated
> here is the installations details-
> Packages - Ambertools1.5, Amber11
> OS - (Red Hat 4.1.2-48)
> compilers GNU 4.1.2 and intel 12 (tried both separately)
> Cuda toolkit 3.2/4.0 (tried both)
> all bugfixes has been applied to both ambertool and amber.
> Please help me to get it working. Note that I was able to run
> successfully before applying bugfix17.
>
> On Sun, Sep 18, 2011 at 5:20 AM, Ross Walker <ross.rosswalker.co.uk>
> wrote:
>
> > This sounds to me like you have not applied the bugfixes.
> >
> > Make sure you apply all the latest bugfixes up to and including
> bugfix.17
> > then try it again. If you still have a problem then please send more
> > specific details. Your hardware, the prmtop, inpcrd and mdin file and
> also
> > the contents of your mdout file.
> >
> > All the best
> > Ross
> >
> > > -----Original Message-----
> > > From: Himanshu Joshi [mailto:joshihardware.gmail.com]
> > > Sent: Friday, September 16, 2011 11:25 PM
> > > To: amber.ambermd.org
> > > Subject: [AMBER] Problem with pme cuda :launching kernel
> > > kPMEGetGridWeights
> > >
> > > dear all ,
> > > With amber11 pmemd_cuda I am facing a problem
> > > I am using top and coordinate file to get out put from a #PBS
> script
> > > but it
> > > is showing the following error massege
> > > "Error: unknown error launching kernel kPMEGetGridWeights "
> > > Can anyone help to resolve this issue..
> > >
> > > --
> > > With Regards
> > > HIMANSHU JOSHI
> > > Graduate Scholar,(CCMT) Dept.Of Physics
> > > IISc Bangalore
> > > _______________________________________________
> > > 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
> >
>
>
>
> --
> With Regards
> HIMANSHU JOSHI
> Graduate Scholar,(CCMT) Dept.Of Physics
> IISc Bangalore
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Mon Sep 19 2011 - 08:30:03 PDT
