Re: [AMBER] test errors of amber18

From: David Case <>
Date: Thu, 27 Sep 2018 11:51:59 +0000

On Mon, Sep 17, 2018, Lei Zhao wrote:
> Recently I have upgraded the amber18 and recompiled it. Although the
> latest version of amber18 could pass all the test of mpi,cuda and cuda
> mpi, the gnu version of amber18 has encountered several errors. I have
> attached the information below.

You are seeing many errors in leap, which I have not seen before.

Can you say what you mean by "upgraded amber18"? All the errors are in
AmberTools. You might try downloading a fresh version of that and trying
agin. What OS and compiler (version) are you using? Is there anything odd
about the computer setup you have that might be relevant? Is it possible to
try the AmberTools installation on a different machine?


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Received on Thu Sep 27 2018 - 05:00:03 PDT
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