[gmx-users] input/output error when running Hessian matrix in double precision

[Justin A. Lemkul]

Someone else posted a very similar question yesterday regarding input/output
errors, and Tsjerk gave some good advice just this morning:

http://www.gromacs.org/pipermail/gmx-users/2008-May/034271.html

Be sure to search the list archives for error messages, and read the subject
lines of other threads; you may find them useful!

-Justin

Quoting Collins Nganou <nganoucollins at gmail.com>:

>  Dear gmx-users.
>
>  Greetings.
>
>  I am trying to calculate Hessian matrix by  using gromacs 3.3.3.
> But I receive the following error when I am running :mdrun_d -s 3ns -c
> equil.gro -g md.log  -e 3ns_ener.edr -mtx nm.mtx
> I didn't understand  what is wrong.
>
>
> ########################################################################
>
> -------------------------------------------------------
> Program mdrun_d, VERSION 3.3.3
> Source code file: futil.c, line: 313
>
> File input/output error:
> md.log
> -------------------------------------------------------
>
> "Correctomundo" (Pulp Fiction)
>
> Halting program mdrun_d
>
> gcq#117: "Correctomundo" (Pulp Fiction)
>
> [0] MPI Abort by user Aborting program !
> [0] Aborting program!
> p0_13474:  p4_error: : -1
>    p4_error: latest msg from perror: No such file or directory
>
> ############################################################################
>
>
> Please someone can tell me how I can do to solve it.
>
> can I already have a link for gromacs 3.3.3 doc.
>
> Thanks a lot for all  help.
>
> Collins.
>



========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/

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