Dear lammps users:
I find a strange error. When i reduce the quantity of my data file, for instance, my original data file have 1000 atoms , and i delete the last 100atoms’coordinates and change the atom number to 900 atoms. Then, when i run the lammps file, the error shows “Segment Error”.I don’t why? Please help me.
yours Susie
Dear lammps users:
dear susie,
I find a strange error. When i reduce the quantity of my data file, for
instance, my original data file have 1000 atoms , and i delete the last
100atoms'coordinates and change the atom number to 900 atoms. Then, when i
run the lammps file, the error shows "Segment Error".I don't why? Please
help me.
are you sure you didn't delete 101 atoms and not 100?
the data file format is not well designed for robust parsing
and the parser is not trying to be very robust either. it is
simply assumed, that the file is in the correct format. this
leads to problems whenever there is an inconsistency
and that is why it is usually better to write a script or program
to generate the data file (i am using the ones in the VMD
topotools plugin, but i am biased ).
cheers,
axel.