[Pw_forum] Anyone running on a SPARC64 architecture?
Hello, anyone is currently running Quantum ESPRESSO on a SPARC64 architecture (e.g. K Computer)? Please get in touch. Thanks! -- Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso.org ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
[Pw_forum] Availability beta version of Quantum ESPRESSO v6.0
Dear all, the Quantum ESPRESSO Development Team is pleased to release a beta version of Quantum ESPRESSO v6.0. We decided to disclose a beta release to collect from our user community as many feedback as possible and capture as many bugs as possible in advance. We will do our best to fix on time all isssues before the production release. The v6.0 is planned by end of September. The "6.beta" archive can be downloaded from QE-FORGE: http://qeforge.qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseView_id=219 An important note: this is *not* a productionrelease so there may be issues and *not* all third-party packages are supported and available at this stage. After the beta period this archive will be removed. We appreciate and value your feedback, PLEASE download and try it. We look forward to hearing from you. Happy Computing -- Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso.org ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] error messege igcx
I see: the error is misleading and should be better formulated, but it is a well known error. You are using pseudopotentials generated with different XC functionals (PBE and PBESOL). You can do this, but you have to explicitly set the XC functional you want via the input parameter "input_dft" Paolo On Sat, Aug 27, 2016 at 10:05 AM, mohammadreza hosseini < mhr.hosse...@modares.ac.ir> wrote: > Dear paolo > > The igcx error was happened during SCF calculations while the relax > computation was done with same pseudopotentials and if the error was > related to different Functionals the relax could not have done too. > > > > ___ > Pw_forum mailing list > Pw_forum@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 ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
