AMBER Archive (2005)

Subject: Re: AMBER: Error in MD

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Thu Jul 21 2005 - 23:08:56 CDT

Hi,

You had a file called mdinfo in the directory where you ran your job.
It's read-only. In your mdin, your ntpr is probably set to 250. Try to
remove mdinfo or change its permission by doing chmod u+w mdinfo. It may
solve your problem ...

Guanglei

mathew k varghese wrote:
> Dear AMBER users,
>
> I am trying to continue a md simulation of a nucleic
> acid in explicit solvent. When the simulation is
> started in a new machine the program exits with an
> error message after 250 steps of calculation. When the
> calculation is started again, the program exits with
> the same error message,without doing a signle step of
> calculation.
> The error message is,
>
> forrtl: severe (47): write to READONLY file, unit 7,
> file /home/mathew/cytbulge-ex/mdinfo
> Image PC Routine Line Source
> sander 08190C11 Unknown Unknown Unknown
> sander 08157551 Unknown Unknown Unknown
> sander 08157B48 Unknown Unknown Unknown
> sander 0817E997 Unknown Unknown Unknown
> sander 080D0A8F Unknown Unknown Unknown
> sander 080BF61C Unknown Unknown Unknown
>
> Stack trace terminated abnormally.
>
>
> I am using AMBER8.with ifort compiler.
> How can I solve this problem,
> Thanking you,
> Mathew
>
>
>
> ===========================================================================
>
> /\/\athew
>
> Mathew K Varghese
> Research Scholar
> School of Pure and Applied Physics
> M.G.University
> Kottayam, Kerala
> India
>
> email mathew_kvarghese_at_yahoo.co.in
>
> ===========================================================================
>
>
>
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