Tinker9 User Manual
Followed by an integer value starting from 0, sets the CUDA-enabled
GPU device for the program. Value will be overwritten by environment variable
For instance, a node has four CUDA devices, and the CUDA_VISIBLE_DEVICES
environment variable (part of CUDA library) has been set to
CUDA_VISIBLE_DEVICES=1,3. This means only two CUDA devices are avaiable
here, thus the valid values for CUDA-DEVICE are 0 and 1.
GPU-PACKAGE [CUDA / OPENACC] Tinker8
Selects code paths for some GPU algorithms where both CUDA and
OpenACC versions have been implemented.
The default value is CUDA. Value will be overwritten by environment variable