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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