[Q-e-developers] Bugs with patches for 5.0.3

[Paolo Giannozzi]

Hi

> I have a small set of patches to the 5.0.3 version fixing some 
> uninitalized variables and problematic if-stmts and similar things.
> 
> Do you want to see them?

sure! 

> There is also a problem with the generate_vdW_kernel_table code, it is 
> highly sensitive to compilers that turn on FMA support, it will produce 
> results that differ quite a lot from non-FMA builds.

> I think this warrants at least a warning in the build instructions.

good to know the origin of the discrepancies between kernel tables
calculated by different executables (what is FMA, by the way?). 
These differences are in fact not relevant for practical purposes, 
but I agree that there should be a warning somewhere

Paolo
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222