[gmx-developers] bug-report: x2top seg fault

[Oliver Beckstein]

Version: Gromacs 3.0.5
Linux:   Red Hat 7.1, Kernel: 2.4.9-12custom   (from RH)

Dear all,

x2top segmentation faults on a pdb file and it does not seem to depend on 
the pdb file. 

Debugging in gdb shows that a pointer to a hackblock is taken to be
NULL. This leads to a seg fault in gen_excls():

---------------------------------
x2top.c: main

      gen_pad(&nnb,atoms,bH14,nexcl,plist,excls,NULL,bAllDih);
                                                ^^^^
gen_ad.c: gen_pad
 
      gen_excls(atoms,excls,hb);

gen_ad.c: gen_excls

      hbexcl = &hb[r].rb[ebtsEXCLS];
SEGFAULT
      for(e=0; e<hbexcl->nb; e++) {

----------------------------------

I don't understand what 'hackblocks' are and how I would initialise
one (or many...) or if I actually need it in x2top. 

For the moment, I'd like to get x2top running without having to
understand most of Gromacs. Perhaps someone could help me there?

Thanks in advance,
Oliver


-- 
Oliver Beckstein    *    oliver at bioch.ox.ac.uk