[CP2K-user] CP2K.**** Run with GPU

lizzy bai baili... at gmail.com
Fri Dec 13 10:50:21 UTC 2019

Dear Users.

I have compiled the Cp2K on the GPU 

The executable file generated in the /exe/local  are shown in snapshot 

I can run the job by using command "mpirun -np 8 cp2k.psmp  -i  example.inp 
-o out.txt". By following the command , the job only calculated with cpu 
instead of GPU.

Does any know how to run with GPU ? Which CP2K execute file should I use?

Thank you very much in advance.

[image: WeChat Image_20191213192017.png]

Best Wishes

Liyi Bai
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