On Fri, Oct 18, 2019, Åsmund Røhr Kjendseth wrote:
>
>Update_amber reports that all patches have been applied. When I try
>to run the tests suggested by Chuan, the test fails. The reason the
>test fails is that the inpcrd file in $AMBERHOME/test/cuda/ff19SB/ is
>empty. Maybe you could send med the inpcrd file so I can test the code? I
>just unpacked and patched the code a second time to make sure that the
>inpcrd really is empty.
This exposes a problem in our method of deveoping patches, which we need
to address. But you can get find the needed inpcrd file in
AMBERHOME/test/ff18SB. Just copy it into $AMBERHOME/test/cuda/ff19SB/.
Thanks for the report....dac
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Received on Fri Oct 18 2019 - 07:00:01 PDT
