segmentation fault

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1

Dear all,

for my cnt-base system, i built a new cnt, bigger one with 700 atoms, and tried to run it with same input script -base remained the same- and then i got this error:

Scanning data file …
3 = max bonds/atom
6 = max angles/atom
15 = max dihedrals/atom
Reading data file …
orthogonal box = (0 0 0) to (100 100 100)
1 by 1 by 1 MPI processor grid
729 atoms
1067 bonds
2100 angles
Segmentation fault

what can be the problem?

Aysun

2

i fixed the problem.i made a mistake in dihedral part of my data file and i
managed to realize it at the end.
thanks
Aysun

3

Thanks.
Wish-list: It would be nice if this did not cause a segmentation fault.
Andrew
(I should not point fingers when it comes to handling user error.)

4

Thanks.
Wish-list: It would be nice if this did not cause a segmentation fault.
Andrew

this is more complicated that you would think.

you would have to rewrite a significant chunk of
the parser for the read_data command.

in the long run, it would be better to implement
a more self-descriptive file format altogether,
and while at it, make it so that it scales and
performs well with large systems.

in the perfect world of my imagination, this
would be compatible to restart files and could
be binary (e.g. based on hdf5) with browser
tool that allows you to inspect what sections
the restart/data file contains and a selector
flag, as to which sections you want import
into LAMMPS. if only the days had 48 hours...

cheers,
   axel.