Re: [AMBER] Error message in runing Steered MD in AMBER 10 (tutorial A10)

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 4 Aug 2010 09:17:34 -0400

Hello,

On Wed, Aug 4, 2010 at 5:59 AM, Catein Catherine <askamber23.hotmail.com>wrote:

>
> Dear All,
>
>
>
> I am using AMBER 10 to run tutorial A10 on steered MD.
>
>
>
> I downloaded all the input files (in, out, mdcrd and rst files) from the
> website. I found the following error message, what does it mean, what can I
> do to run Steered MD in AMBER10? pls kindly help.
>
>
>
> =======================================================
>
> PGFIO-F-209/list-directed read/unit=9/'OLD' specified for file which does
> not exist.
>

This shows that there was a problem opening unit 9 (and that the PGI
compilers were used). The only unit 9 that I could find with grep
corresponded to the inpcrd file. Did this file exist? The error said the
program tried to open up file unit 9 that is 'OLD' (i.e. it exists already).

Good luck!
Jason


>
>
>
> In source file _ew_box.f, at line number 1238
>
> =======================================================
>
>
>
> Many thanks,
>
>
>
> Cat
>
>
>
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed Aug 04 2010 - 06:30:03 PDT
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