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