Hi David,
If you update the amber19 properly, you will find that the test in
$AMBERHOME/test/cuda/ff19SB will actually use inpcrd in
$AMBERHOME/test/ff19SB instead. You can take a look at the Run file in
cuda/ff19SB to better understand it. If you go to cuda/ff19SB and
execute ./Run SPFP with GPU available, the test should pass.
I'm also wondering if your cpu test passed?
Let me know if the issue still exists.
Thank you!
Chuan
>
>
>
> From: David Wang <david.wang3.duke.edu>
> Date: Wed, Nov 27, 2019, 2:57 PM
> Subject: [AMBER] ff19SB inpcrd test file missing
> To: amber.ambermd.org <amber.ambermd.org>
>
>
> Hi Amber community,
> The inpcrd test file for $AMBERHOME/amber18/test/cuda/ff19SB seems to be
> missing, resulting in a failed test when running 'make test'. Has this
> occured to anyone else or did I update Amber incorrectly?
> Sincerely,
> David Wang
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Received on Wed Nov 27 2019 - 15:00:01 PST
