The warning messages can be safely ignored. Paolo
On Wed, Oct 23, 2019 at 8:16 PM Matthew Marcus <[email protected]> wrote: > First, I'd like to apologize in advance for any violations of > mailing-list etiquette. I'm new to the mailing list and to QE. > I've been running through the examples in PW and XSpectra. In the > PW/examples folder, the following examples result in sets of warnings > like these: > Note: The following floating-point exceptions are signalling: > IEEE_UNDERFLOW_FLAG IEEE_DENORMAL > Note: The following floating-point exceptions are signalling: > IEEE_UNDERFLOW_FLAG IEEE_DENORMAL > Note: The following floating-point exceptions are signalling: > IEEE_UNDERFLOW_FLAG IEEE_DENORMAL > Note: The following floating-point exceptions are signalling: > IEEE_UNDERFLOW_FLAG IEEE_DENORMAL > > All of the tests in run_tests executed with success. > > I don't know how to compare the outputs with those in the reference > directories, but they all seem to be populated with numbers instead of > NaN. The examples in PW displaying this behavior are > example01, example04, example06, example07, example09, > example11,example12, ESM_example, EXX_example, gatefield and > vdwDF_example. The others ran to completion with no complaint. > > In XSpectra, of the four examples, the two that die this way are > run_example_Cu_L23 and run_example_SiO2_USPP. The latter produces > .dat files which look like those in the reference folder except for a > 4eV shift, even though they displayed the underflow warning. The > former example dies at the point indicated in the attached shell file. > While it produces an output XANES spectrum (xanes.dat), that spectrum > doesn't look like any of the .dat files in the reference folder. > The Cu.wfc file looks like a concatenation of wavefunctions for > 1s,2s,2p, 3s and 3p, as I think it should. > Matthew Marcus > Advance Light Source > Lawrence Berkeley Lab > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- 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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