Hi,
no, sorry, that's not it.
I used "tail -f mdinfo" and "more mdinfo" and in both cases the simulation
crashes.
I can do "tail -f prod1.out" and everything is OK, but I can't do the same
with the mdinfo file.
I'm using PMEMD, Amber 14 and AmberTools14 (I know, I should update
AmberTools - maybe that's the problem?).
Best regards.
2016-04-21 11:29 GMT+02:00 Dr. M. Shahid <mohammad.shahid.gmail.com>:
> 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 21 2016 - 03:30:03 PDT
