There is a better suite of tests in test-suite/, with a README on how to run it. Anyway: - recent versions of gfortran give raise, for obscure reasons, to many IEEE_DENORMAL signals. They are harmless, though. - all tests may have very small fluctuations in final numbers (the initialization has often a stochastoc character). With some mathematical libraries there can be small but irreducible discrepancies.
Paolo On Sun, Feb 28, 2016 at 2:24 PM, Stephen Chan <[email protected]> wrote: > Hello, > > I am trying to install QE on my local PC. As I'm new to this area, I tried > the simplest way to compile: > ./configure > make pw > > Apparently the compilation went fine, but when I tried: > cd PW/tests > ./check-pw.x.j > > For each test, I got this warning: > Note: The following floating-point exceptions are signalling: IEEE_DENORMAL > > Discrepancies from the reference figures were also reported: > discrepancy in total energy detected > Reference: -44.618060, You got: -44.618132 > discrepancy in force detected > Reference: 0.0030, You got: 0.0033 > discrepancy in pressure detected > Reference: 189.41, You got: 189.56 > > Please let me know if you need further info from my side. I'd be happy if > you could give me some directions in resolving the problem. > > Kind regards, > Stephen > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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