Hi,
Thanks Robin.
Here's some more info.
idecomp1 fails in b05491629eacb62bb34ae8c74cfac2d7bcc6df06
idecomp1 works in 9dde74cd71e6427297df86e36916277ba567d418
build fails in bd6332a184ee45af93a644426bd05091817621b5 :
gfortran -c -O0 -ffree-form -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism -I../../include -I/nfs/10/srb/amber/tmp/amber/include -o sander.o sander.F90
In file sander.F90:118
use amd_mod
1
Fatal Error: Can't open module file 'amd_mod.mod' for reading at (1): No such file or directory
git log --follow ./src/sander/mdread.F90
commit b05491629eacb62bb34ae8c74cfac2d7bcc6df06
Author: Jason Swails <jason.swails.gmail.com>
Date: Tue Feb 21 17:01:51 2012 -0500
Fix a bug in setting C-terminal radii for mbondi3 radii in ParmEd.
Thanks to James Maier for catching this!
Also remove a spurious tab from mdread.F90, it appeared red in my
syntax highlighting. Red...
commit bd6332a184ee45af93a644426bd05091817621b5
Author: Romelia <rsalomonferrer.ucsd.edu>
Date: Tue Feb 14 17:40:06 2012 -0800
RSF added Accelerated Molecular Dynamics to Sander.
Cleaned AMD routines in pmemd
commit 9dde74cd71e6427297df86e36916277ba567d418
Author: xiongwu <wuxw.nhlbi.nih.gov>
Date: Tue Feb 14 13:28:14 2012 -0500
Add SGLD reweighting scripts
Update SGLD, EMAP reference
Add option to fix center of mass
So now the debuggers have a 3.5 hr time frame to investigate.
scott
ps run the tests, all the tests, for every commit
and save us all time.
On Fri, Mar 02, 2012 at 12:06:48PM -0800, Robin Betz wrote:
> I went through the logs on the Cruise Control machine and it looks like the
> failure of idecomp1 predates the start of Cruise Control running tests, as
> the error is in the very first test log available, on February 14 2012 and
> has persisted in each build up to now.
>
> On Fri, Mar 2, 2012 at 11:36 AM, Scott Brozell <sbrozell.rci.rutgers.edu>wrote:
> > 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
> >
> > 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 - 13:00:02 PST
