Dear Amber developers,
I want to run the command cpptraj watershell and use the CUDA
parallelization but I don't know how.
I have a watershell.ptraj file and execute it in the terminal with
--> cpptraj < watershell.ptraj
and when I include the -cuda flag I get an error that the topology -cuda
could not be opened.
How should I execute the command to use the cuda parallelization ?
Thanks a lot for help
Max K.
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Received on Mon Sep 02 2019 - 03:00:02 PDT
