Dear all,
there seems to be an incompatibility between improper_style hybrid and cvff/intel.
With this combination i get a reproducible, system-independent segmentation fault.
Either on its own is working without problems.
Sebastian
Dear all,
there seems to be an incompatibility between improper_style hybrid and
cvff/intel.
With this combination i get a reproducible, system-independent segmentation
fault.
Either on its own is working without problems.
i've filed this as issue #83 on the LAMMPS github project issue tracker.
https://github.com/lammps/lammps/issues/83
can you provide a simple/minimal input deck that quickly reproduces this?
thanks,
axel.
hi again,
Dear all,
there seems to be an incompatibility between improper_style hybrid and
cvff/intel.
With this combination i get a reproducible, system-independent segmentation
fault.
Either on its own is working without problems.i've filed this as issue #83 on the LAMMPS github project issue tracker.
https://github.com/lammps/lammps/issues/83can you provide a simple/minimal input deck that quickly reproduces this?
no more need. i found an input suitable for debugging this on my
desktop machine.
i've been able to reproduce this and implemented a solution (and some
code refactoring for consistency with other bonded interaction styles)
in the attached patch. this will be available in LAMMPS-ICMS shortly
and in the upstream LAMMPS version as soon as steve has time to
include this in the upstream version and generate a new patchlevel
release.
axel.
lammps-improper-hybrid-bugfix-refactor.diff.gz (1009 Bytes)