I think you should try
--> cpptraj.cuda < watershell.ptraj
Best Regards
On Mon, 2 Sep 2019 at 15:02, Max Knicker <max-knicker.web.de> wrote:
>
> 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.
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 02 2019 - 04:00:02 PDT
