[gmx-developers] jenkins LJ-PME verify failures expected

Erik Lindahl erik.lindahl at scilifelab.se
Fri Jan 24 10:27:44 CET 2014


On 24 Jan 2014, at 09:03, David van der Spoel <spoel at xray.bmc.uu.se> wrote:

> On 2014-01-22 21:24, Mark Abraham wrote:
>> Not serious, unless you ran them on the GROMACS beta!
>> (https://gerrit.gromacs.org/#/c/3018/)
> Is that irony?
> This in principle means the long range exclusion corrections for LJPME 
> were wrong, or not? And hence no energy conservation, and all results in 
> Christian's paper are wrong and also the runs we have done?

Since it’s unlikely to have conserved energy with that bug I would rather guess that it is something that appeared very recently when moving things into the 5.0-branch before actually _releasing_ it, but I would agree that it’s a good idea if Mark & Christian can provide some detials!



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