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ver: 27 Oct 2021
Credits: Sergey Matveev and Victor Vysotskiy (installation, scripts)
Installation: Linux
- Unzip source tarball to a desired directory.
- Run
make serial
and make mpi
from src
directory.
- Alternatively you may use compiled binaries from RPM Repository.
- Keep potentials in a common directory, e.g.
~/lammps/_res
.
- Job submission scripts:
Magnus cluster,
Pardus cluster
- PBS submission command:
qsub lammps/_pbs -N test1 -l nodes=1:ppn=4,walltime=24:00:00 -q batch
- SLURM submission command:
sbatch -J test1 -n 16 -t 24:00:00 lammps/_pbs
- Sample input files: lam, inp (modify path to potential parameter files).
Installation: Windows
- Install to a desired program folder, I use
C:/Sci/lammps
.
- Set environment variable
LAMMPS_POTENTIALS
to the folder where potentials are stored (you can do it in lammps.bat file),
I use C:\Users\azh\homepage\soft\lammps\_res
.
Note that folder lists are not supported.
- Edit and copy lammps.bat to the program folder (or any other location).
- Associate tin-files with
lammps.bat
. For this purpose you can edit and use these file associations.
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