Package Details: lammps-git 38442.b620c52-1

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: 2024-03-19 03:09 (UTC)

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

srun -n 5 lmp -in file.in

Latest Comments

yuhldr commented on 2022-10-12 16:15 (UTC) (edited on 2022-10-12 16:22 (UTC) by yuhldr)

@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.

Nwmo commented on 2022-09-09 21:40 (UTC)

@yuhldr, can you please add GPU and OPENMP packages?

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

srun -n 5 lmp -in file.in