Hello,
I am begining to work with LAMMPS.
At the moment, I've installed the soft
only on my mac. Some of the examples
attached with the install tar went ok.
However, my own first calculation fails,
as well as the example "peptide" calculation
with the seg fault error.
[I run peptide as a test case of "full" style]
Both jobs [my own and peptide] produce
such kind of an output when run with gdb
[below is the peptide result]:
hi magdalena,
please try two things:
- update to the very latest lammps sources
- compile a binary without any optimization
(make sure you do a make clean-all in between)
if the segfault still persists let us know which
version of macos x exactly you are running.
thanks,
axel.
Runs fine for me without any memory errors. Must
be some Mac-related build issue.
Steve
hi Axel
many thanks for help -
i did both [update and compilation without
optimization] and the error disappeared.
i cannot compile poems, though, but i will
post it as a separate question when i finally
give up fighting with it..
best wishes
magdalena