| Git Clone URL: | https://aur.archlinux.org/lammps-git.git (read-only, click to copy) |
|---|---|
| Package Base: | lammps-git |
| Description: | Large-scale Atomic/Molecular Massively Parallel Simulator |
| Upstream URL: | https://lammps.sandia.gov/ |
| Keywords: | lammps |
| Licenses: | GPL |
| Conflicts: | lammps |
| Provides: | lammps |
| Submitter: | physkets |
| Maintainer: | yuhldr |
| Last Packager: | yuhldr |
| Votes: | 1 |
| Popularity: | 0.000000 |
| First Submitted: | 2019-02-22 06:18 (UTC) |
| Last Updated: | 2024-09-15 07:34 (UTC) |
@Nwmo，If you already have openmpi installed and then install lammps-git, openmpi is supported by default using the code mpirun -np 2 lmp-in.file, where 2 is the number of cores you need to parallelize, and in.file is your script file.
The gpu support is related to the gpu type of the computer, for example, my computer is Nvidia, only need to add -D PKG_GPU=on -D GPU_API=cuda when compiling，of course, need to install cuda in advance.
@yuhldr, can you please add GPU and OPENMP packages?
I only need to -D PKG_MANYBODY=yes -D PKG_MPIIO=on PKG_PHONON=on python vim. if you need to others PKG, comment here, if ok, I will add it.
Firstly, install pmix. Then, install slurm-llnl, Then, install openmpi-slurm. Finally, install lammps-git
you can run lammps script by
srun -n 5 lmp -in file.in
Pinned Comments
yuhldr commented on 2022-04-23 03:32 (UTC) (edited on 2023-03-30 08:48 (UTC) by yuhldr)
I only need to
-D PKG_MANYBODY=yes -D PKG_MPIIO=on PKG_PHONON=on python vim. if you need to others PKG, comment here, if ok, I will add it.yuhldr commented on 2022-04-23 03:19 (UTC) (edited on 2022-04-23 09:25 (UTC) by yuhldr)
Firstly, install pmix. Then, install slurm-llnl, Then, install openmpi-slurm. Finally, install lammps-git
you can run lammps script by