You just need to edit a single line: $ diff espresso/qe-6.5/PP/src/pw2bgw.f90 ~/q-e-dev/PP/src 1353c1353 < IF ( nspin==2 ) CALL rhoz_or_updw(rho, 'r_and_g', 'updw_rhoz') --- > IF ( nspin==2 ) CALL rhoz_or_updw(rho, 'only_g', '->updw')
Paolo On Wed, Apr 29, 2020 at 8:19 AM <[email protected]> wrote: > I have compiled the QE6.5 this morning which should be the latest version > in the GitLab. Whereas still the same error report has occurred. Please see > the files in the attachment. > > all best > > Kan Zhang > > -----原始邮件----- > *发件人:*[email protected] > *发送时间:*2020-04-29 09:48:41 (星期三) > *收件人:* [email protected] > *抄送:* [email protected] > *主题:* Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation > > Hello, thank you, first. > > Does this error has been fixed in version 6.5? I read the release log, but > do not notice the referring to this error. Or, a fixed version of > *pw2bgw.f90* > <https://gitlab.com/QEF/q-e/-/blob/4132a64778b91c4b090d0213938e00d7b2b64b10/PP/src/pw2bgw.f90> > is > only replacing the original one is OK? If it is possible, I want this way, > cause the compile time is too long. > > All best, > > ----------------------------------- > > Hello, this bug should have been fixed a few months ago: > > *https://lists.quantum-espresso.org/pipermail/developers/2020-January/002159.html* > <https://lists.quantum-espresso.org/pipermail/developers/2020-January/002159.html> > Please try your job with the develop version of qe available on gitlab. > Best regards > > > ------------------------------ > > > 本邮件及其附件含有发送给特定个人和用于特定目的的信息。如果您不是预期的收件人，请立即删除本邮件并通知发件人。严禁任何非预期的收件人使用、传播、分发或复制本邮件或其附件。 > This email and its attachments may contain confidential information > intended for a specific individual and purpose. If you are not the intended > recipient, you should delete this email and notify the sender immediately. > Any use, dissemination, distribution, or copying of this email or its > attachments by persons other than the intended recipient(s), is strictly > prohibited. > > > > ------------------------------ > > > 本邮件及其附件含有发送给特定个人和用于特定目的的信息。如果您不是预期的收件人，请立即删除本邮件并通知发件人。严禁任何非预期的收件人使用、传播、分发或复制本邮件或其附件。 > This email and its attachments may contain confidential information > intended for a specific individual and purpose. If you are not the intended > recipient, you should delete this email and notify the sender immediately. > Any use, dissemination, distribution, or copying of this email or its > attachments by persons other than the intended recipient(s), is strictly > prohibited. > _______________________________________________ > 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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