Hi everyone:
You can get the second release candidate here:
https://ambermd.org/downloads/AmberTools21.RC2.tar.bz2
Things that I am hoping are resolved:
* works with gfortran10 (but see below)
* avoids problems with some (older?) boost installations
* updates to quick, ions
* should be OK if both AmberTools21 and Amber20 are untarred into the same folder
* mdgx.cuda should be built correctly (but still needs testing)
* only tests pytraj in serial mode (good and bad points to this...)
Known problems, so don't be surprised:
* gfortran10 doesn't work with Amber20/pmemd; we'll need to post an
update for that to work. (I think pmemd in the master branch should be OK)
* The quick tests don't pass on all machines--looks like roundoff errors.
(Note that quick is not built by default, but some people should test it.)
* reaxff-puremd doesn't work for me; again, this is not built by default,
but something needs attention here.
As before, please report results and problems here:
https://ambermd.org/pmwiki/pmwiki.php/Main/AmberTools21Test
...thx...dac
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Received on Sun Apr 11 2021 - 18:30:01 PDT
