Sigh, I think the 780s and Titans are both unstable...
What's happening to your simulation is that it's blowing up in a
nondeterministic manner between restarts. My suggestion is to do as you
have done - run on GTX680 until we figure out what's up with GK110 consumer
GPUs...
On Wed, Jun 19, 2013 at 2:48 PM, Hailin Huang <hailin.huang.my.liu.edu>wrote:
> density
> &cntrl
> imin=0,irest=1,ntx=5,
> nstlim=1000000,dt=0.002,
> ntc=2,ntf=2,
> ntb=2, ntp=1, taup=1.0,
> ntpr=1000, ntwx=1000,
> ntt=3, gamma_ln=2.0,
> temp0=300.0,
> ntr=1, restraintmask=':1-106',
> restraint_wt=2.0,
> /
>
>
> Calculation stopped at step 273000 in the output file, and the error
> message showed up in the log file.
>
>
> On Wed, Jun 19, 2013 at 5:23 PM, Scott Le Grand <varelse2005.gmail.com
> >wrote:
>
> > Could you send the the input files?
> >
> >
> >
> > On Wed, Jun 19, 2013 at 1:34 PM, Hailin Huang <hailin.huang.my.liu.edu
> > >wrote:
> >
> > > This happened using the following version of AmberTools and Amber.
> > >
> > > update_amber -v
> > > Version is reported as <version>.<patches applied>
> > >
> > > AmberTools version 13.09
> > > Amber version 12.18
> > >
> > >
> > >
> > >
> > >
> > >
> > > On Wed, Jun 19, 2013 at 4:03 PM, Scott Le Grand <varelse2005.gmail.com
> > > >wrote:
> > >
> > > > Apply all the patches first... There were specific NTP fixes in
> BugFix
> > > > 18...
> > > >
> > > >
> > > >
> > > >
> > > >
> > > > On Wed, Jun 19, 2013 at 12:14 PM, Hailin Huang <
> > hailin.huang.my.liu.edu
> > > > >wrote:
> > > >
> > > > > Sorry I didn't make it clear, the problem with the shrinking cell
> is
> > > > > solved. I got another error when I restarted the calculation, on a
> > GTX
> > > > 780.
> > > > > The error is " cudaMemcpy GpuBuffer::Download failed unspecified
> > launch
> > > > > failure". Then I ran the same calculation on a 690, it completed
> > > without
> > > > > any errors.
> > > > >
> > > > > So I was wondering why this happened..
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Received on Fri Jun 21 2013 - 11:00:02 PDT
