[Pw_forum] problems with examples
Jose Luis Gordillo Ruiz
jlgr at super.unam.mx
Tue Sep 20 18:19:50 CEST 2011
Hi,
I'm compiling QE 4.3.2 with Intel 12.0.2.137 Build 20110112
in a Intel(R) Xeon(R) CPU X5670
Compilation worked fine, but when running the examples, some of them
didn't finish. For instance, example34 ends the "running the dynamic
polarizability calculation" step with this message:
iter # 80 charge diff. 1.99621241 thresh_veff 0.00960000
**********unstability happens**********
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from cdiaghg : error # 6
diagonalization (ZHEGV*) failed
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
while example35 ends "running pw.x at Gamma for O2 with noncolin=.true."
step with
iteration # 8 ecut= 45.00 Ry beta=0.50
Davidson diagonalization with overlap
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from c_bands : error # 1
too many bands are not converged
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
I've got similar results both for using MKL or internal BLAS.
anny suggestions?
thank you in advance
Jose Luis Gordillo
Supercomputo - UNAM
More information about the users
mailing list