INCAR tags for gpu version

[peterklaver]

Hello people,

Our group has purchased three Dell C4130 nodes with 4 K80s in each, connected with infiniband. I'm quite eager to test the gpu verison of VASP on them. I've managed to compile an executale, but I can't seem to find documentation dealing with how to run the gpu executable. Specifically, is there a page detailing how to control the number of gpus versus cpu cores, how to tie certain gpus to specific cpu cores (which can make a performance difference on C4130 nodes), etc? Or does VASP sort out the optimal solution for such things itself automatically without user input?

I looked through the manual, but couldn't find a single instance of the word 'gpu' in there. And on the wiki, I only find the page about the gpu port where the section 'Running' is empty.

Is there a 'gpu-VASP for dummies' page anywhere?

greets,
Peter

[admin]

In the current version of the code there are no input parameters for GPU in INCAR.
Vasp automatically sort out the optimal solution without user input.

[guiyang_huang1]

For gpu, NSIM=14 can be set if no test is done for the system I used. But for different system and computer, it should be different.
NSIM can be adjusted in order to have a faster speed.


LREAL=Auto should be set.