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

[Christian Wennberg]

The bug only existed in the 5.0-beta, since the 1/r got lost in the 
migration and rewriting from 4.5.x.

It is not present in the old 4.5.x-version which I think is the one 
David have been using? (the same we used in the LJ-PME paper).
It should be fairly easy to check in the source-code.
Look at the lines containing "svmul(...)" in the function named 
ewaldlj_LRcorrection situated in src/gmxlib/ewald_util.c

/Christian

 > On 2014-01-24 10:46, Berk Hess wrote:
 >No, I think the bug has always been there. But with default parameters 
the errors will be so small that >the energy drift this would cause will 
be swamped by other errors. See my previous reply for a quick >check.
 >
 >Cheers,
 >
 >Berk