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benroberts999 / ampsci

A c++ program for high-precision atomic structure calculations of one and two valence systems. Uses Hartree-Fock + correlation potential method. Can calculate ionisation cross sections with large of energy/momentum transfer.
https://ampsci.dev
MIT License
20 stars 7 forks source link

TDHF is slow - parallelised poorly #6

Open benroberts999 opened 4 years ago

benroberts999 commented 4 years ago

TDHF (RPA) is much slower than I think it could be when Breit is included. Not parallelised well.

benroberts999 commented 1 year ago

I don't think the issue is with Breit, it just makes it more noticeable. Probably stems from large number of small allocations; I think these mess with ability to parallelise efficiently