Re: [AMBER-Developers] Automated Build System

From: <>
Date: Wed, 26 Oct 2011 22:41:01 -0400 (EDT)

Well, I would be off to a flying start on that prize--I pushed up some
mdgx commits and they're NOT AT ALL compatible with the serial build. Mea
cupla. Once you get to a parallel build, mdgx is almost compatible--there
was a change to PtrajMask.h (formerly ptrajmask.h) but that'll get fixed
in my next commit. Serial compilation has been a mess because I have a
lot of stuff that should be roped off with #ifdef MPI statements but am
just now finding out about (obviously haven't tried a serial build in

All that said, I'm having lots of trouble compiling anything in AMBER, and
it's not that it gets stuck on mdgx. From what I can tell, all sorts of
undefined references pop up with the gnu compiler on things like _amopen.f
and ambpdb utilities, probably other stuff but I'm only looking at the
last 250 lines of error output.


> On Wed, Oct 26, 2011 at 10:27 PM, Ross Walker <>
> wrote:
>> Hi All,
>> I should add that Mark Williamson did a great job of setting this up. My
>> hope is to be able to automate things further over the coming months to
>> have
>> it run the test cases and produce a log as well as some benchmarks.
>> For now though it is good to see when someone breaks something. For now
>> this
>> is using gcc 4.4.
> What's the reward for being the committer who breaks it the most?
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
> AMBER-Developers mailing list

AMBER-Developers mailing list
Received on Wed Oct 26 2011 - 20:00:09 PDT
Custom Search