RIDE on multiple GPUs

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Andrew Orry

Jun 11, 2021, 7:24:51 PM6/11/21
to MolSoft ICM Knowledge Base
Q. How to run RIDE on multiple GPUs.
For more information on RIDE see

By default _ride uses first available GPU which satisfies compute compatibility >= 6.0
There is command line option 'gpuid=' for _ride script which allows to specify a particular GPU

So, to run ride on multiple GPUs you can use it like below:

icm64 _ride tamplate1.mol database.molt result1.sdf gpuid=0
icm64 _ride tamplate2.mol database.molt result2.sdf gpuid=1

GPU starts from 0 and should correspond to the output of nvidia-smi.

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