OrderN / CONQUEST-release

Full public release of large scale and linear scaling DFT code CONQUEST
http://www.order-n.org/
MIT License
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Think about threaded ScaLAPACK alternatives for eigenvalue solve #252

Open tkoskela opened 8 months ago

tkoskela commented 8 months ago

In multithreaded runs, ScaLAPACK calls to pzhevgx are becoming a significant non-threaded bottleneck. At least the Intel mkl implementation of ScaLAPACK does not gain performance by adding threads to mkl calls. If we want to eliminate this bottleneck, we would have to look for alternatives to pzhevgx.

List of ideas: