I am using lammpsIntel - lamps 17-Nov 2016 with Intel, openmpi and fftw3.
Attached here are the files full regarding this problems.
sigma5_312.lmp is the data file and in.lammps is the input file. I have
attached the potential file too.
rather than bombarding people with oversized uncompressed files, what
can't you just answer *both* of my questions?
axel.
Sorry sir!
I am getting used to lammps. Sometimes I don’t feel confident in explaining the problems clearly. I will not repeat such mistakes again. I am extremely sorry for any inconvenience.
In the data file, its explained 1 atom types.
The lammps version - lamps 17-Nov 2016 with Intel, openmpi and fftw3.
Thank you.
Sorry sir!
I am getting used to lammps. Sometimes I don't feel confident in
explaining the problems clearly. I will not repeat such mistakes again. I
am extremely sorry for any inconvenience.
the fact that you don't feel confident is no justification to not attempt
an answer and particularly does not justify to make the person you want
help from to do what is essentially your task for you.
In the data file, its explained 1 atom types.
now look at the documentation for pair style eam/alloy with that
information in mind, and it should become clear what your mistake is.
axel.
Thank you sir!
I got it.
Many thanks.