Porting CP2K input file to run on GPU
abhishek... at gmail.com
Thu Sep 4 06:18:55 CEST 2014
I am new user to CP2K and as well as to MD. I am running a MD simulation
for a charged system using DFT and would like to port the application to
run on GPU, which is supported by CP2K. I was wondering what are the
necessary changes required for the input file to get at least some areas of
code to run on a GPU.
Any pointers regarding this is deeply appreciated and forgive my ignorance.
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