By input files, I mean everything required to reproduce the situation you
encountered, not just mdin. If you don't have the data anymore, chalk it
off to gremlins. if it happens again, save them and send them, OK?
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 Wed Jun 19 2013 - 15:30:02 PDT
