Issue with running CP2K on multi-GPU node

[Andreas Glöss]

Hi Abhishek,

There is a much easier way than modifying the code - just specify which GPU 
is visible to the program by setting the environment variable 
CUDA_VISIBLE_DEVICES.

eg. (bash-syntax):

export CUDA_VISIBLE_DEVICES=0,3
... then start your calculation ...
unset CUDA_VISIBLE_DEVICES

would "hide" GPU 2 and 3 ("C"-counting).

Regards,
Andreas
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