[gmx-users] problem in reading parallel mdrun output

[bharat v. adkar]

Dear all,
i'm sorry for confusion in last mail... i wrote that i did gmxcheck, and 
pasted results of gmxdump...
here are results from gmxcheck....

Checking file traj.trr
trn version:  -------------------------------------------------------
Program gmxcheck, VERSION 3.3.1
Source code file: ../../../../gromacs-3.3.1/src/gmxlib/trnio.c, line: 69

Fatal error:
Float size 190909451. Maybe different CPU?
-------------------------------------------------------

Checking file traj.xtc
-------------------------------------------------------
Program gmxcheck, VERSION 3.3.1
Source code file: ../../../../gromacs-3.3.1/src/gmxlib/xtcio.c, line: 83

Fatal error:
Magic Number Error in XTC file (read 0, should be 1995)
-------------------------------------------------------


Checking energy file ener.edr
-------------------------------------------------------
Program gmxcheck, VERSION 3.3.1
Source code file: ../../../../gromacs-3.3.1/src/gmxlib/enxio.c, line: 239

Fatal error:
Energy file ener.edr not recognized, maybe different CPU?
-------------------------------------------------------

help please...

bharat





On Fri, 21 Jul 2006, bharat v. adkar wrote:

>
> Dear GMX users,
>
> Recently i installed gromacs-3.3.1 on IBM powerpc64 with mpi support.
> some of the details of the machines are as follows:
> -------------------------------
> hostname = cnode39
> uname -m = ppc64
> uname -r = 2.6.5-7.139-pseries64
> uname -s = Linux
> /bin/arch= ppc64
> ------------------------------
>
> it got installed properly without any error.. i could successfully run a test 
> mdrun on four nodes. when i tried to gmxcheck of edr, xtc, and trr files, it 
> gives following errors respectively:
>
> gmxcheck -f traj.xtc
> -------------------------------
> Program gmxdump, VERSION 3.3.1
> Source code file: ../../../../gromacs-3.3.1/src/gmxlib/xtcio.c, line: 83
>
> Fatal error:
> Magic Number Error in XTC file (read 0, should be 1995)
> -------------------------------
>
>
> gmxdump -f traj.trr
> -------------------------------
> Program gmxdump, VERSION 3.3.1
> Source code file: ../../../../gromacs-3.3.1/src/gmxlib/trnio.c, line: 69
>
> Fatal error:
> Float size 190909451. Maybe different CPU?
> -------------------------------------------------------
>
> gmxdump -e ener.edr
> -------------------------------------------------------
> Program gmxdump, VERSION 3.3.1
> Source code file: ../../../../gromacs-3.3.1/src/gmxlib/enxio.c, line: 239
>
> Fatal error:
> Energy file ener.edr not recognized, maybe different CPU?
> -------------------------------------------------------
>
>
>
>
> Any suggestions please....
>
> bharat
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