Dear Prof. Case
Thanks for the reply. I have checked all the access flag and looks fine for
me. I have experienced the same problem with cpu version of pmemd also.
Thanks and Regards
Anu
On Wed, Nov 20, 2013 at 6:56 PM, David A Case <case.biomaps.rutgers.edu>wrote:
> On Wed, Nov 20, 2013, anu chandra wrote:
> >
> > I am trying to use Amber 12 CUDA-PMEMD for an angle restrained MD
> > simulation. Unfortunately, simulation terminated with following error.
> >
> >
> *****************************************************************************
> > Warning: Error opening "Old" file from subroutine OPNMRG
> > File = angle_pbc.RST
> >
> *******************************************************************************
>
> This means the program could not even open (or find?) the file. The
> program has not even yet tried to interpret the contents of that file.
> Make sure that it is named properly and has appropriate access flags set.
>
> Also, try a short calcuation with the cpu version of pmemd; that will help
> isolate any (possible) cuda-specific problems.
>
> ...dac
>
>
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Received on Thu Nov 21 2013 - 23:30:03 PST
