[Pw_forum] Problems in running check-pw.x.j

[Paolo Giannozzi]

On Tue, 2012-03-27 at 10:41 +0200, Carlo Nervi wrote:

> By using "mpirun -n 2" more discrepancies appears (sometimes very 
> different number of iterations, i.e. 86 instead of 57 in lda+U_gamma test).

the lda+U test is especially sensitive to small numerical differences,
and the Gamma-only one seems to be the most sensitive of all. I suspect
that the origin of such numerical differences between  is mainly in
mathematical libraries, blas and lapack. If so, there isn't much that
can be done

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy