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
Other
299 stars 139 forks source link

Update self-host CI tasks. #4536

Closed ye-luo closed 2 months ago

ye-luo commented 1 year ago

Our self hosted CI needs some updates.

CPU testing is fast. NVIDIA GPU testing is OK. AMD GPU testing is very slow.

We are missing CPU only + AFQMC. I'm afraid there is breakage already. NVIDIA clang only offload + no CUDA NVIDIA clang only CUDA + no offload AMD ROCm Offload + CUDA2HIP.

My suggestion

In general, GPU builds for each vendor needs 4 variants +/- CUDA/HIP and +/- Offload. We probably won't do all combinations. + CUDA/HIP and + Offload must be covered. In partial variants, I chose ROCm with the HIP only + no offload build and Clang15 with the offload + no CUDA build

williamfgc commented 1 year ago

thanks @ye-luo , adding @PhilipFackler to also get him familiar with our CI

prckent commented 2 months ago

Long since addressed. Lets make a new issue for any CI requests.