Build QMCPACK with Arm Compiler

Overview Before you begin Procedure Related information

How to build QMCPACK with Arm Compiler.

QMCPACK is an open-source, production-level, many-body, ab initio, Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids. For more information, see the QMCPACK website.

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

Component Form
QMCPACK Version 3.7.0
Arm Compiler for HPC
Version 19.1
Arm Performance Libraries Version 19.1
Open MPI Version 3.1.2
HDF5 Version 1.10.4
Boost Version 1.69.0
Operating system RHEL 7.5
Cavium ThunderX2