Hi,
I am having this error when trying to use the stillinger- weber potential parametrized for a coarse-grained model. I have a couple simple (I think) questions:
-can I specify my stillinger-weber coefficients within my input file, or must they be in the exterior .sw file? (All signs seem to indicate that I do need the .sw file)
-if I must use the .sw file, what could be the source of this error message? I have 2 atom types so that gives me 8 combinations of 3-wise interactions, all of which I have specified in my .sw file (attached). I have also attached my “in” file (also attached).
My “in” file .sw file and lammps executable are all in the same directory.
Thank you very much for any help!
Brandon
in.txt (1.28 KB)
MeWa.sw.txt (881 Bytes)
Hi,
I am having this error when trying to use the stillinger- weber potential
i cannot reproduce this error. your input works fine for me with
the current lammps version.
could it be that you are using the intel "composer" version 12?
there was a similar message recently that confirmed the problem
as a miscompiled executable.
parametrized for a coarse-grained model. I have a couple simple (I think)
questions:
-can I specify my stillinger-weber coefficients within my input file, or
must they be in the exterior .sw file? (All signs seem to indicate that I do
need the .sw file)
yes. you need the file.
-if I must use the .sw file, what could be the source of this error
message? I have 2 atom types so that gives me 8 combinations of 3-wise
interactions, all of which I have specified in my .sw file (attached). I
have also attached my "in" file (also attached).
it works for me, so i would suspect that there is something wrong
with your lammps executable.
cheers,
axel.