Hi,
Independent of any other problems you might have, gmxdump should never give a
segmentation fault.
Could you mail me the tpr file?
Which version of Gromacs are you using?
Berk
Date: Mon, 16 Feb 2009 12:57:50 +0400
From: [email protected]
To: [email protected]
Subject: [gmx-users] .mdp file for polymer
Hello sir,
On giving gmxdump its giving me an error saying "segmentation fault.My box size
is 6x6X6.Am trying to run it it vaccum for 250 ps wit 50000 timesteps and with
columb type=PME. I read from mailing list that PME calculations requires large
amount of memory space.Is this an issue with dimension of box or with the
system memory allocation ?Here's my log file.
T-Coupling : 106 (total 106 atoms)
Energy Mon. : 106 (total 106 atoms)
Acceleration: 106 (total 106 atoms)
Freeze : 106 (total 106 atoms)
User1 : 106 (total 106 atoms)
User2 : 106 (total 106 atoms)
VCM : 106 (total 106 atoms)
XTC : 106 (total 106 atoms)
Or. Res. Fit: 106 (total 106 atoms)
QMMM : 106 (total 106 atoms)
ben-nch0.xtc frame 0:
natoms= 1 step= 0 time=-2.9120485e-05 prec=2.8026e-45
box (3x3):
box[ 0]={-2.89059e-05, 3.98821e-34, -2.39380e-05}
box[ 1]={ 3.98770e-34, 1.40130e-45, -2.91168e-05}
box[ 2]={-1.96789e+00, -2.91207e-05, -1.96789e+00}
x (1x3):
Segmentation fault
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