Re: [AMBER-Developers] Amber18/AmberTools18 release candidate 3

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Sat, 24 Mar 2018 13:31:37 -0400

Hi,

There is compiling error for cpptraj with clang on macos (only happens with
rc3). Since it happens with ambertools too so I re-report here:
https://github.com/Amber-MD/cpptraj/issues/594

./configure --with-python python -macAccelerate clang

Hai

On Sat, Mar 24, 2018 at 9:12 AM, David A Case <david.case.rutgers.edu>
wrote:

>
> Hi everyone:
>
> You can get the third release candidate (RC3) tarballs here:
>
> ambermd.org/downloads/AmberTools18.23mar18.tar.bz2.jlmrdd
> ambermd.org/downloads/Amber18.23mar18.tar.bz2.jlmrdd
>
> Strip off the final suffix, untar and test.
>
> You can see test summaries here:
>
> ambermd.org/pmwiki/pmwiki.php/Main/Amber18Test
>
> Go ahead and add your own (editing password is "pakrules").
>
> Notes:
>
> 1. This candiate should have the final version of cpptraj, plus various
> minor fixes, and the latest (23mar18) version of the manual, Amber18.pdf
>
> 2. The situation with GNU compilers on CPU is pretty good, so
> concentrate on:
>
> a. parallel tests with 2 or 16 threads
> b. tests with Intel and PGI compilers (second email is coming about
> this.)
> c. cuda tests: please list your nvcc version on type of GPU
> d. cuda tests with the -afe option to configure (I don't think
> anyone has done this yet, so there may well be problems.)
>
> 3. There is very little time left to update the Manual, so please look
> for problems there.
>
> 4. Right now, I am focussing on the legacy Makefile build system. But
> I encourage you to test the CMake build. Do this:
>
> cd amber18 # where you untarred stuff
> ./configure_cmake --full-help
>
> Then pick the options you want.
>
> If you see cmake-specific problems, please post those comments here:
>
> github.com/Amber-MD/cmake-buildscripts/issues/108
>
>
> ...thanks!...dac
>
>
> _______________________________________________
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> AMBER-Developers.ambermd.org
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>
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Received on Sat Mar 24 2018 - 11:00:02 PDT
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