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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Example and Test of GPU spline data sharing required #1229

Open prckent opened 5 years ago

prckent commented 5 years ago

See #1101

Existing GPU tests only use a single GPU, e.g. as run on oxygen. Small ctest configuration updates may be needed.

prckent commented 5 years ago

An example with gold reference data in the examples directory would be helpful