Hi,
I got this error when running mysimulation. can somebody help please?
ERROR: Illegal pair_style command (…/pair_lj_cut.cpp:430)
Last command: pair_style hybrid lj/cut 2.5 sw tersoff
here is part of my input file.
pair_style hybrid lj/cut 2.5 sw tersoff
pair_coeff * * Ge.tersoff Ge
pair_coeff * * p.sw P
pair_coeff 1 2 lj/cut 1.0 1.0 2.5
Jakes
Hi,
I got this error when running mysimulation. can somebody help please?
there are about 5 definite errors in this little input segment, and
likely a couple more conceptual problems which point to a significant lack
of experience and understanding.
i suggest you start with something simpler, where you don't need to use
anything "hybrid".
since LAMMPS is a modular software, you need to make certain, that you have
all modules included, that are needed for your simulations. it appears,
that this is not the case here.
axel.
yes sir, am new with lammps and gradually getting use it.
the problem am trying to solve involves the use of morethan One pair potential. can it be model without the use of ‘hybrid’?
Hi,
I got this error when running mysimulation. can somebody help please?
there are about 5 definite errors in this little input segment, and likely a couple more conceptual problems which point to a significant lack of experience and understanding.
i suggest you start with something simpler, where you don’t need to use anything “hybrid”.
since LAMMPS is a modular software, you need to make certain, that you have all modules included, that are needed for your simulations. it appears, that this is not the case here.
axel.
without a more detailed description of what the “morethan One pair potential” is, it is very unlikely that you will get any help! Detail the potential structure/principle/basics/etc., and maybe one could lead you to some directions… Julien
yes sir, am new with lammps and gradually getting use it.
the problem am trying to solve involves the use of morethan One pair
potential. can it be model without the use of 'hybrid'?
as i already told you, i highly recommend to start with simulating (much)
simpler and well understood systems first.
you are not the first person describing to be in this kind of situation who
is at the same time directly starting with setting up his research project.
history has shown that - unless you are an exceptional genius - this is a
doomed approach and you are bound to waste a lot of your time and the time
of the people on this list. the fact, that you manage to cram so many
errors in such a few lines of input script and, that you seem to be missing
the understanding of some general concepts of manybody potentials and
units, confirms that you are normal than anybody else here.
also you seem to believe just using cut-n-paste from random pieces of input
will give you something that is somewhat working and if it won't that
either LAMMPS or people on this mailing list will tell you how to fix it.
that will also not work. plenty of people have tried and i don't recall
anybody succeeding. instead people were quickly frustrated and upset.
the problem here is an attitude problem. the core of doing effective and
correct MD is not mastering the software, but understanding the method. the
hardest part of good simulations is to design the model well and have a
good grasp on what is an effective descriptor of the properties you want to
compute. getting a working and correct LAMMPS input is a minor issue in
that respect, only that even if LAMMPS is not crashing, it does not mean,
the result is useful.
axel.