abacusmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
GNU Lesser General Public License v3.0
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Optimize the GPU code of gint_rho using the CUDA math library #295

Closed dzzz2001 closed 8 months ago

dzzz2001 commented 8 months ago

Details

The current gint_rho algorithm uses atomicAdd at the bottom level, which is inefficient. Can we use CUDA math library functions to replace atomicAdd and speed up the gint_rho program? 微信截图_20240103213540

Task list for Issue attackers (only for developers)

mohanchen commented 8 months ago

Thanks! We suggest the issues be raised in another repository, https://github.com/deepmodeling/abacus-develop/issues