Hello Everyone!
I'm with problems using g_disre where, after de execution, the answer is
always
"Segmentation fault".
To minimize the problem I changed for a very small system in the tutorial
sub-directory of gromacs VERSION 4.5.4. I'm not using mpi library.
The distance restraints are:
[ distance_restraints ]
; ai aj type index type low up1 up2 fac
15 53 1 0 1 0.0 0.3 0.4 1.0
15 54 1 0 1 0.0 0.3 0.4 1.0
15 55 1 0 1 0.0 0.3 0.4 1.0
17 53 1 0 1 0.0 0.3 0.4 1.0
17 54 1 0 1 0.0 0.3 0.4 1.0
17 55 1 0 1 0.0 0.3 0.4 1.0
15 38 1 1 1 0.0 0.3 0.4 1.0
15 39 1 1 1 0.0 0.3 0.4 1.0
17 38 1 1 1 0.0 0.3 0.4 1.0
17 39 1 1 1 0.0 0.3 0.4 1.0
To analyse:
g_disre -s topol.tpr -f traj.trr
and the answer is:
Back Off! I just backed up disres.log to ./#disres.log.2#
Reading file ../topol.tpr, VERSION 4.5.4 (single precision)
Reading file ../topol.tpr, VERSION 4.5.4 (single precision)
Segmentation fault (core dumped)
in the file /var/log/messages
Aug 1 15:19:03 camboinhas kernel: g_disre[5743]: segfault at 4 ip
00007f71869e4222 sp
00007fff2970e170 error 4 in libgmx.so.6.0.0[7f7186987000+3b8000]
Aug 1 15:19:03 camboinhas abrt[5744]: saved core dump of pid 5743
(/usr/local/gromacs/bin/g_disre) to
/var/spool/abrt/ccpp-1312222743-5743.new/coredump
(622592 bytes)
This results are the same in my MDs....
I tried to recompile but the result is the same.
Looking forward for your kind suggestions and comments
Great Thanks
Francisco
--
________________________________________________________
Francisco Gomes Neto
Laboratório de RMN de biomoléculas (bioNMR)
Centro Nacional de Ressonância Magnética Nuclear Jiri Jonas
Instituto de Bioquímica Médica
Universidade Federal do Rio de Janeiro
Av. Carlos Chagas Filho, 373, CCS, Bloco K, Anexo CNRMN
Rio de Janeiro, RJ, 21941-902
Phone: +55-21-3717-2019/3521-5558 Fax: +55-21-3881-4155
mobile:+55-21-9937-1621
fgo...@cnrmn.bioqmed.ufrj.br
http://cnrmn.bioqmed.ufrj.br
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