[CP2K:8506] fes binary

Ari Paavo Seitsonen ari.p.s... at gmail.com
Sun Jan 1 14:11:48 UTC 2017


Dear Rafal,

  Hmm. I could use the version I compiled on your restart file. Did you use
the same version of CP2K on both machines? I used the 'graph.sopt' from
CP2K v4.1.

    Greetings,

       apsi

2017-01-01 11:59 GMT+01:00 Rafał Roszak <rafal.m... at gmail.com>:

> Ari,
>
> thx for response and help!
>
> On Sat, 31 Dec 2016 18:22:28 +0100
> Ari Paavo Seitsonen <ari.p.s... at gmail.com> wrote:
>
> >   Did you try creating a new architecture file (for example
> > "Linux-x86-64-gfortran-fes_only.stop") without those libraries, also
> > excluding the corresponding pre-processor flags, and then typing 'make
> > ARCH=Linux-x86-64-gfortran-fes_only VERSION=sopt fes '? Yes, it should
> work
> > without all those libraries, and very easily.
>
> I did as you suggest and it partially works:  I compiled fes but it does
> not work.
> I dont know why but the program looking for something in source directory.
> Output is below (relevant part of restart file is in attachment)
>
>
> /home/rmrmg/soft/cp2k/svn/cp2k/cp2k/exe/local/graph.sopt -cp2k  -file
> /mnt/icml/icm/nostromo/home/users/rmrmg/pka/phso2cx/CdCH/cp2k-all/mtdcp2k-1.restart
> -ndim 1 -ndw 1  -out wynik.cp2k
>
> **********************************************************************
> FES|  Parsing file:   <HILLS>
>
>  ABORT in common/cp_files.F:393 The specified OLD file <HILLS> cannot be
> opened. It does not exist. Data directory path: /home/rmrmg/soft/cp2k/svn/
> cp2k/cp2k/data
>
> Program received signal SIGABRT: Process abort signal.
>
> Backtrace for this error:
> #0  0xb77aaad7 in ???
> #1  0xb77aaaf5 in ???
> #2  0xb73a9e6f in ???
> #3  0xb73ab396 in ???
> #4  0x80aa966 in ???
> #5  0x80aa99e in ???
> #6  0x80678fc in ???
> #7  0x804d4cb in ???
> #8  0x804916d in ???
> #9  0xb7396195 in ???
> #10  0x804919b in ???
> Aborted (core dumped)
>
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-- 
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  Ari Paavo Seitsonen / Ari.P.S... at iki.fi / http://www.iki.fi/~apsi/
    Ecole Normale Supérieure (ENS), Département de Chimie, Paris
    Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935
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