[AMBER] Cpptraj watershell CUDA

From: Max Knicker <max-knicker.web.de>
Date: Mon, 2 Sep 2019 11:29:54 +0200

   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
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