[DFTB-Plus-User] Sparse matrix with CUDA

Giovanni La Penna glapenna at iccom.cnr.it
Wed May 7 16:28:20 CEST 2014


Dear all,

  Is there anyone who tried to implement a CUDA
sparse matrix diagonalization for DFTB+?
In affirmative case we are interested in testing the
performance, if a distribution is available within
the DFTB+ license agreement (or whatever).

Thank you,

          Giovanni La Penna

National research council of Italy (CNR)
Institute for chemistry of organometallic compounds (ICCOM)
Sesto Fiorentino (Firenze), Italy
tel.: +39 0555225264 / skype: giovannilapenna


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