On Tue, Mar 17, 2020 at 4:10 PM Offermans Willem <[email protected]> wrote:
maybe you can enlighten us. > definitely not. All I know is that the "driver" mode was devised to be run with iPi and was adopted by ASE as well. Nothing or no one told me that this is not thoroughly tested > Of course it was tested, but the user basis is likely small and there are no automated tests for it, so if something breaks it may easily go undetected How can we debug it? > As usual: - Is it reproducible in all systems, or just in some specific systems, or with some specific option or execution mode? - Is it reproducible on other machines or compilers? - Is it reproducible on a small test that can be quickly run? - Is any message issued if you run it interactively (at the terminal)? Once you have a reproducible small test, better if in serial execution, please open an issue on Gitlab. Meanwhile, you can try to locate where the code crashes by putting instructions like write(6,*) 'I am here' flush(6) in PW/src/punch.f90. Presumably, it will stop somewhere in "pw_write_binaries". Then you do the same inside pw_write_binaries. It's dumb, using a debugger would be much better, but it takes more time to learn one than to look for the crash "the dumb way". Once the crash is located, sooner or later one finds also why it crashes Paolo On 17 Mar 2020, at 15:05, Paolo Giannozzi <[email protected]> wrote: On Tue, Mar 17, 2020 at 2:35 PM Offermans Willem <[email protected]> wrote: > The output file (pd.pwo) ends with: > > <snip> > …. > @ DRIVER MODE: Message from server: STATUS > @ DRIVER MODE: Message from server: GETFORCE > @ DRIVER MODE: Returning v,forces,stress > are you running pw.x in "driver" mode? this is a rather special feature that is not thoroughly tested Writing output data file pwscf.save/ > </snip> > is this the end of file? nothing else? something went wrong while writing. Paolo -- 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 <vito.jpg>_______________________________________________ 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 Indien u VITO Mol bezoekt, hou aub er dan rekening mee dat de hoofdingang voortaan enkel bereikbaar is vanuit de richting Dessel-Retie, niet vanuit richting Mol, zie vito.be/route. <http://www.vito.be/route> If you plan to visit VITO at Mol, then please note that the main entrance can only be reached coming from Dessel-Retie and no longer coming from Mol, see vito.be/en/contact/locations. <http://www.vito.be/en/contact/locations> VITO Disclaimer: http://www.vito.be/e-maildisclaimer > _______________________________________________ > 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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