[ase-users] Using ASE with lammps

Jacob Madsen jamad at fysik.dtu.dk
Wed Aug 12 12:26:45 CEST 2015


Hi,

Your error is most likely due to a wrongly set LAMMPS_COMMAND variable.
I get the identical error if I modify my environment variable to some
nonsense.

You should also make sure that LAMMPS itself is working correctly by
running LAMMPS without the ASE interface e.g. by running it using one of
the example input scripts provided in your lammps/bench folder.

Best,
Jacob
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20150812/079aaa55/attachment.html>


More information about the ase-users mailing list