[gmx-users] g_disre problems

[Francisco Gomes Neto]

   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 
fgomes at cnrmn.bioqmed.ufrj.br 
http://cnrmn.bioqmed.ufrj.br