[Pw_forum] Using solvent on QE-GPU?

Rolly Ng rollyng at gmail.com
Sun Nov 29 09:12:57 CET 2015

Dear QE developers,


I am running QE-5.2.0 and I also have the GPU plugin v14.10.0.


Therefore, I have pw-gpu.x in the bin directory.


Can I add the current Environ-0.1 to the GPU executable? 


Should I do the following steps for pw-gpu? Any modification needed?


For PW and NEB:


    1) in QE main dir run the script addsonpatch.sh

          ./install/addsonpatch.sh Environ Environ/src Modules -patch

    2) in PW/src dir run 

          ../../Environ/patches/environpatch.sh -patch

    3) in install dir run

          ./makedeps.sh -addson Modules Modules

          ./makedeps.sh PW/src

    4) in QE main dir re-compile pw and neb 

          make pw

          make neb 

5) run pw.x with argument pw.x -environ





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