Porting CP2K input file to run on GPU

Abhishek Bagusetty abhishek... at gmail.com
Thu Sep 4 06:18:55 CEST 2014


All,

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. 

Thanks,
Abhi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20140903/f3eab615/attachment.html>


More information about the CP2K-user mailing list