[Pw_forum] discrepancies in tests
Jose Luis Gordillo Ruiz
jlgr at super.unam.mx
Sat Aug 20 03:05:52 CEST 2011
Hi,
I'm installing QE in an opteron 285 computer.
I'v tested Intel 11, Intel 12, Pathscale 3.2 and GNU 4.5 compilers,
with internal BLAS and LAPACK, and I always got discrepancies in
lda+U_force, lda+U_gamma, noncolin-constrain_total and relax2-bfgs_ndim3
and relax2. Additionally, intel and pathscale produce discrepancies in
md-pot_extrap2.
any suggestions?
bests regards,
Jose Luis Gordillo
Supercomputo - UNAM
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