[Pw_forum] testing the PW execution

[Paolo Giannozzi]

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 <hcsinfo.2009 at googlemail.com>
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
>
> _______________________________________________
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> Pw_forum at pwscf.org
> 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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