Hi,
The error David mentions concerned big-endian 64-bit platforms with
sizeof(long)>sizeof(int).
http://bugzilla.gromacs.org/show_bug.cgi?id=55
I fixed it in both CVS branches a couple of months ago - you can find
patches through the link above.
Cheers,
Erik
On Jul 24, 2006, at 8:37 PM, bharat v. adkar wrote:
Thanx David...
It's working with trj and ene files though tpb is not working and i
faced no problem with tpr generated on the same system also...
as you said, even these files cannot be read on other platforms :(
bharat
On Sun, 23 Jul 2006, David van der Spoel wrote:
bharat v. adkar wrote:
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....
I vaguely recall that something is wrong generating tpr files on
this platform. Maybe you can start by generating a file on another
box and try to run it on the PowerPC. This point to a problem in
the XDR libraries.
As a workaround you can try to use trj and tpb files instead of
trr/xtc and tpr. These are not platform independent however.
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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