[DFTB-Plus-User] Sparse matrix with CUDA

[Bálint Aradi]

Dear Giovanni La Penna,

>  Is there anyone who tried to implement a CUDA
> sparse matrix diagonalization for DFTB+?

We do not work on GPU-based diagonalization at the moment. Please note,
that due to the minimal basis, you need ca. 50% of all
eigenvalues/eigenvectors of the Hamiltonian, so I am not sure, how much
a GPU based iterative implementation would really speed up things.

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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