Dear LAMMPS Users,
I am trying to run an example of airebo potential. I have found the following error:
Reading data file …
orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
1 by 1 by 2 MPI processor grid
reading atoms …
60 atoms
Replicating atoms …
orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
2 by 1 by 1 MPI processor grid
32640 atoms
Time spent = 0.00118739 secs
ERROR: Unknown pair style airebo (…/force.cpp:262)
Last command: pair_style airebo 3.0 1 1
Looking for positive response and suggestions.
Thank you in advance.
Dear LAMMPS Users,
I am trying to run an example of airebo potential. I have found the following error:
Reading data file ...
orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
1 by 1 by 2 MPI processor grid
reading atoms ...
60 atoms
Replicating atoms ...
orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
2 by 1 by 1 MPI processor grid
32640 atoms
Time spent = 0.00118739 secs
ERROR: Unknown pair style airebo (../force.cpp:262)
Last command: pair_style airebo 3.0 1 1
you cannot use a pair style, if it has not been included into your
LAMMPS executable. this is why you get this error.
axel.
This error means that LAMMPS wasn’t compiled with required package (or you made a typo). The manual page for a given pair style lists required packages in the “Restrictions” section.
Michal
Thank you very much for your responses.
How to include the pair style in the LAMMPS executable?? I have tried make yes-all in src directory but could not resolved it.
Thank you very much for your responses.
How to include the pair style in the LAMMPS executable?? I have tried make yes-all in src directory but could not resolved it.
using make yes-all is a very bad idea. many packages require a lot of
additional libraries and additional work to get compiled.
follow this up with: make no-lib
to remove all those "complicated" packages, that require you carefully
reading the documentation and how to compile all these many additional
packages.
or, look up the airebo documentation, it will tell you which package
is required and then add only that package and recompile LAMMPS.
please be aware, that this is all properly explained in the manual,
but it may require reading it with more care and perhaps a second or
third time.
axel.
Thank you very much for this suggestion.
I read the airebo documentation and found that it falls into the MANYBODY Package. https://lammps.sandia.gov/doc/Packages_details.html#pkg-manybody
I have checked the status of MANYBODY package by make package-status command and found "Installed YES: package MANYBODY." Does it mean that the package installed successfully?
I have also gone through these link: https://lammps.sandia.gov/doc/Build_package.html. I did not found any extra installation information for MANYBODY package
Thank you in Advance
Thank you very much for this suggestion.
I read the airebo documentation and found that it falls into the MANYBODY Package. https://lammps.sandia.gov/doc/Packages_details.html#pkg-manybody
I have checked the status of MANYBODY package by make package-status command and found "Installed YES: package MANYBODY." Does it mean that the package installed successfully?
I have also gone through these link: https://lammps.sandia.gov/doc/Build_package.html. I did not found any extra installation information for MANYBODY package
make yes-manybody will only copy the sources. you still need to
compile LAMMPS. please pay attention to my previous recommendations.
you can check whether your executable includes the desired package
(and styles) by looking at the output of ./lmp_mpi -h or
./lmp_<whatever machine file you have used> -h
again, this is all described and explained in great detail in the
first part of the LAMMPS manual. you need to keep studying it.
we spend a lot of effort on writing the documentation, so we don't
have to explain this kind of stuff over and over again on the mailing
list.
axel.