Re: [AMBER-Developers] [gohlke.uni-duesseldorf.de: Fwd: Re: some questions about current test failures]

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Fri, 2 Mar 2012 14:36:11 -0500

Hi Ross,

Can you give me access to whatever machine stores the logs
so that i can use a TUI instead of a GUI (and thus make progress
faster than that of a 3 yr computer scientist) ?

btw a few targeted monkey darts show that the bug was there 16 days ago:
http://cc.ambermd.org/dashboard/tab/build/detail/Amber_serial_gnu-4.4.5/20120215063112

thanks,
scott
http://www.automaticfinances.com/monkey-stock-picking/


On Fri, Mar 02, 2012 at 08:52:37AM -0500, David A Case wrote:
> On Thu, Mar 01, 2012, David A Case wrote:
> > ----- Forwarded message from Holger Gohlke <gohlke.uni-duesseldorf.de> -----
> > > >
> > > > 1. Many of the "decomposition" tests are failing. Is this because some
> > > > radii were changed, or because some algorithm was changed? If there
> > > > is anyone who uses this stuff and can tell what is going on, that would
> > > > help a lot.
> > >
> > > We saw this as well when we wanted to check in final new .save files
> > > for our examples. The reason must be within sander and was probably
> > > introduced between 13.02.2012 and 28.02.2012. What is troublesome is
> > > that the sum of the internal energies from the decomp. analysis is not
> > > equal to the sum of these energies from sander.out anymore.
>
> I'd like to see if we can track this down.
>
> 3. Scott: can you poke through the Cruise Control logs to try to identify the
> spot at which the decomposition tests cases started to fail? That should help
> us pin down the code change that is causing the problem.

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Received on Fri Mar 02 2012 - 12:00:02 PST
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