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faq:cuda_support [2014/04/05 07:56] vondelefaq:cuda_support [2022/03/09 13:17] (current) oschuett
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 ====== Which parts of CP2K are CUDA-accelerated? ====== ====== Which parts of CP2K are CUDA-accelerated? ======
  
-  * FFTs, when compiled with ''%%-D__PW_CUDA%%''+Have a look at our [[:gpu GPU page]] as well as [[howto:compile_with_cuda this howto ]]. 
-  * Anything that uses ''dbcsr_multiply'', i.e. sparse matrix multiplication, when compiled with ''%%-D__DBCSR_CUDA%%''. This benfits in particular the [[ http://dx.doi.org/10.1021/ct200897xlinear scaling DFT]] code. See also [[http://dbcsr.cp2k.org the DBCSR project.]] +
-  * If linked against an accelerated scalapack/blas library (in particular pdgemm/dgemm) that executes these calls on the GPU. The impact of this is most visible for MP2 and RPA calculations. On the hybrid Cray XC30 linking against libsci_acc makes this happen.+
  
faq/cuda_support.1396684573.txt.gz · Last modified: 2020/08/21 10:15 (external edit)