LAMMPS

Building LAMMPS with Arm Compiler


Overview Before you begin Procedure Related information

Overview

How to build LAMMPS with Arm Compiler for HPC.

LAMMPS is a computational chemistry classical molecular dynamics code. LAMMPS is an acronym for Large-scale Atomic Molecular Massively Parallel Simulator.

The following components are used in this build:

 Component Form
 LAMMPS  lammps-stable (11 Aug 2017)
 Arm Compiler for HPC
 Version 18.0
 Arm Performance Libraries  Version 18.0
 Open MPI  Version 2.1.2
 Operating system  RHEL 7.3
 Hardware
 Cavium ThunderX2

Recipes for other versions of the application are available in the GitLab Packages Wiki.

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