Re: [AMBER] Error with angle restrain in CUDA PMEMD

From: David A Case <>
Date: Wed, 20 Nov 2013 08:26:36 -0500

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.


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Received on Wed Nov 20 2013 - 05:30:04 PST
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