QMCPACK / qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support
http://www.qmcpack.org
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Enable ahead-of-time compilation when using oneapi #5064

Closed ye-luo closed 3 months ago

ye-luo commented 3 months ago

Proposed changes

Enable ahead-of-time reduces initialization time by skipping the JIT compilation.

What type(s) of changes does this code introduce?

Does this introduce a breaking change?

What systems has this change been tested on?

Aurora

Checklist

ye-luo commented 3 months ago

JIT was the default and still is. AOT is used only when you specify the actual GPU architecture. AOT requires intel compute runtime being installed and I cannot use it on my laptop.

ye-luo commented 3 months ago

Test this please