Re: [AMBER] Testing AMBER16 installation in parallel; possible bug in testing scripts

From: David Case <>
Date: Sat, 22 Dec 2018 22:22:54 +0000

On Fri, Dec 21, 2018, Bellesis, Andrew G wrote:
>I have been installing AMBER16 in parallel on Arch Linux.

>possible FAILURE: check mdout.ips_sgmdg.dif

>./Run.ips: Program error
>make[3]: [Makefile:148: test.sander.BASIC] Error 1 (ignored)
>cd gact_ips && ./Run.ipsnve

We have seen intermitted failues reported with the ips code, but haven't been
able to track it down, because it has been difficult to reproduce the
problem: the tests pass on the Linux distros we usually use.

First: if you are not planning to use IPS (and very few people do), then
you can ignore these test failures.

Second, it might help to know what compiler versions you are using, and
what MPI distribution you have. I don't know if we'll be able to find
much, but having more information about how one gets to a place where
these tests fail might help.

Thanks for the report....dac

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Received on Sat Dec 22 2018 - 14:30:03 PST
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