[gmx-developers] GMX_FLOAT_EPS changed between 4.6 and 5.0

[David van der Spoel]

Hi,

I'm having issues getting a patch to behave in Jenkins, but now it turns 
out that it may be due to the definition of GMX_FLOAT_EPS
in 4.6 we have
types/simple.h:#define GMX_FLOAT_EPS    5.96046448E-08
 From 5.0 we have
simple.h:#define GMX_FLOAT_EPS    1.19209290e-07F
(twice as big?)

This has an impact on the table spacing for the PME corrections. The 
table spacing now is sqrt 2 less.

Since all tests until work there may be other issues too (in particular 
in my code obviously), but suggestions are welcome.

Cheers,
-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se