Building NWChem with Arm Compiler

Overview Procedure Related information


How to build NWChem with Arm Compiler for HPC.

NWChem is an open source High-Performance Computational Chemistry application. NWChem provides users with computational chemistry tools that are scalable for both efficiency and varying cluster resources.

For more information on NWChem visit the NWChem webpage.

For the purposes of this build, the following components are used:

NWChem Version 6.8
Arm Performance Libraries
Version 18.2
Arm Compiler for HPC
Version 18.2
Open MPI Version 3.0.2
Operating System
RHEL 7.5
Hardware Cavium ThunderX2

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