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:
|Arm Performance Libraries
|Arm Compiler for HPC
|Open MPI||Version 3.0.2
Recipes for other versions of the application are available in the GitLab Packages Wiki.