Re: [AMBER] How to read mdinfo file without crashing the simulation?

From: Dr. M. Shahid <mohammad.shahid.gmail.com>
Date: Thu, 21 Apr 2016 11:29:41 +0200

Hi,

You can try to use one of the following commands in a terminal to look into
the contents of the mdinfo file.

- tail -f mdinfo this command will continuously show the contents as it
is written by the simulation program.
- more mdinfo this is will just display the contents one time.

if still the simulation is crashed, then there is some other problem.

Best regards, 

--
Shahid.
On Thu, Apr 21, 2016 at 11:01 AM, Karolina Markowska <
markowska.kar.gmail.com> wrote:
> Dear Amber Users,
>
> I have a strange problem. I'm running different aMD simulations tests and I
> want to compare the timings. I know I can find that kind of informations in
> the mdinfo file, but here comes the problem: several times when I opened
> mdinfo file (using just "cat mdinfo"), the simulation crashed and I've got
> an error:
> At line 810 of file runfiles.F90 (unit = 7, file = 'mdinfo')
> Fortran runtime error: Resource temporarily unavailable
> Is that a bug?
> Is there a way to look into mdinfo during simulation without any risk that
> the simulation will crash?
>
> Looking forward to some advices!
> Best regards
> Karolina Markowska
> PhD student
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Received on Thu Apr 21 2016 - 03:00:03 PDT
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