Re: [AMBER] Some short Catalina experience

From: Gustaf Olsson <gustaf.olsson.lnu.se>
Date: Fri, 18 Oct 2019 06:57:22 +0000

Sometimes I regret abandoning MacPorts for Homebrew. MacPorts had a much easier system for switching compilers with the port-select (if I am remembering it correctly) as compared to Homebrews more careful approach of not interfering with system defaults so one has to symlink/alias or reprioritise PATH order.

I do also notice that Hai/Tru and I also had different outcomes even if we started from the exact same install basis for compilers, OS and everything else I saw. It does make me think about the wonderful phrase “it works on my computer”.

Sorry for the long wait-times, I am doing the compilation on my personal computer at home at night which limits how much I can accomplish in a day somewhat. I suspect that NetCDF reverts to system default instead of the brew installed version when using brew gcc9 so this might be solvable by specifying library locations explicitly.

Best regards
// Gustaf

> On 18 Oct 2019, at 03:42, David Case <david.case.rutgers.edu> wrote:
>
> On Thu, Oct 17, 2019, David Case wrote:
>>
>> ...more later, including efforts to use the MacPorts compilers.
>
> Here's what I get with gcc9 from MacPorts (configure -macAcclerate
> gnu):
>
> Finished serial test suite for Amber 18 at Thu Oct 17 17:53:54 EDT 2019.
>
> 188 file comparisons passed
> 0 file comparisons failed ( 0 ignored)
> 0 tests experienced errors
> Summary of AmberTools serial tests:
>
> 2488 file comparisons passed
> 2 file comparisons failed ( 2 ignored)
> 0 tests experienced errors
>
> This looks just like Mojave or Linux: at least in serial, no build or
> testing problems show up.
>
> [Still to resolve: why some of the cpptraj tests failed with clang]
>
> ....dac
>
>
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Received on Fri Oct 18 2019 - 00:00:03 PDT
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