Gromacs development

07/24/2014

06:52 PM Gromacs Bug #1535: osx C++ symbol visibility warnings

Roland Schulz wrote:
> I suggest we upgrade ICC on Mac. Currently 13.0.1 (2013 Update 1) is installed. The latest 13...

06:39 PM Gromacs Feature #1566: Add test whether file-system seek/tell is broken

Roland Schulz wrote:
> Both Lustre (#1261) and BeeGFS (#1565) had/have bugs in their fseek/ftell implementation. I'm...

06:28 PM Gromacs Bug #1565 (Closed): Problems with BeeGFS file system and checkpointing

05:04 PM Gromacs Bug #1554: build of template.cpp is broken

Teemu Murtola wrote:
> Copying some stuff here from Gerrit:
>
> The last time I tested (and fixed the most obviou...

07/23/2014

10:00 PM Gromacs Feature #1413: grompp silently changes rlistlong

Erik Lindahl wrote:
> I briefly considered adding code to provide more diagnostic information about this, but as Ber...

07/11/2014

11:11 PM Gromacs Bug #1540: tng unit test shows errors

Magnus Lundborg wrote:
> I think that the TNG unit tests in GROMACS currently only check that there are no fatal err...

07/10/2014

11:24 PM Support Platforms Bug #1551: git index.lock issue

If by construction we never share a workspace between two builds, can't we just delete the lock upon entry?

10:14 AM Gromacs Bug #1559: Writing TNG files fails on Xeon Phi

Roland Schulz wrote:
> The unit tests:
> * mdrun-test CanWrite/Trajectories.ThatDifferInNstxout/*
> * legacy-too...

07/09/2014

10:06 PM Gromacs Bug #1552: LJPME bug with SSE2 kernels

Szilárd Páll wrote:
> Christian Wennberg wrote:
> > I get the same behaviour for both MPI and Thread-MPI
> >
> ...

06:20 PM Gromacs Feature #1237 (Accepted): Turning on free energy with GB in 4.6.2 beta yields incorrect (zero) sh...

If anyone ever wants to work on this, there's some code at https://gerrit.gromacs.org/#/c/2355/, based on release-4-6...