<p>
        <br>
Hi Paolo,
</p>
<p>
        It finally gets done! THANK YOU! Thank you for your good patience.
</p>
<p>
        all best
</p>
<p>
        Kan<br>
</p>
<blockquote class="ReferenceQuote" style="padding-left:5px;margin-right:0px;margin-left:5px;border-left-color:#B6B6B6;border-left-width:2px;border-left-style:solid;" name="replyContent">
        -----原始邮件-----<br>
<b>发件人:</b><span id="rc_from">"Paolo Giannozzi" <p.giannozzi@gmail.com></span><br>
<b>发送时间:</b><span id="rc_senttime">2020-04-29 16:32:52 (星期三)</span><br>
<b>收件人:</b> zhangkan3@mail.sysu.edu.cn<br>
<b>抄送:</b> <br>
<b>主题:</b> Re: Re: Re: [QE-users] Fw: Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation<br>
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                "make pp"<br>
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                        On Wed, Apr 29, 2020 at 10:31 AM <<a href="mailto:zhangkan3@mail.sysu.edu.cn">zhangkan3@mail.sysu.edu.cn</a>> wrote:<br>
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                        <p>
                                Hello Paolo,
                        </p>
                        <p>
                                Does it mean I should do it from ./configure? I have tried 'make install' to regenerate the pw2bgw.x in bin directory. It still does not work.
                        </p>
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                                <br>
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                                -----原始邮件-----<br>
<b>发件人:</b><span id="gmail-m_5906041835144881034rc_from">"Paolo Giannozzi" <<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>></span><br>
<b>发送时间:</b><span id="gmail-m_5906041835144881034rc_senttime">2020-04-29 16:24:16 (星期三)</span><br>
<b>收件人:</b> <a href="mailto:zhangkan3@mail.sysu.edu.cn" target="_blank">zhangkan3@mail.sysu.edu.cn</a><br>
<b>抄送:</b> <br>
<b>主题:</b> Re: Re: [QE-users] Fw: Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation<br>
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                                        You need to recompile - PG<br>
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                                                On Wed, Apr 29, 2020 at 10:22 AM <<a href="mailto:zhangkan3@mail.sysu.edu.cn" target="_blank">zhangkan3@mail.sysu.edu.cn</a>> wrote:<br>
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                                                <p>
                                                        Hello Paolo,
                                                </p>
                                                <p>
                                                        I still have the problem after I did the revision as below:
                                                </p>
                                                <p>
                                                        <img alt="" src="cid:2ce72172$1$171c51a6dc2$Coremail$zhangkan3$mail.sysu.edu.cn"> 
                                                </p>
                                                <p>
                                                        Or if I need to recompile the QE after revising the pw2bgw.f90 file?<br>
Kan
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                                                        -----原始邮件-----<br>
<b>发件人:</b><span id="gmail-m_5906041835144881034gmail-m_5879542898750509978rc_from">"Paolo Giannozzi" <<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>></span><br>
<b>发送时间:</b><span id="gmail-m_5906041835144881034gmail-m_5879542898750509978rc_senttime">2020-04-29 14:33:23 (星期三)</span><br>
<b>收件人:</b> "Quantum ESPRESSO users Forum" <<a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a>><br>
<b>抄送:</b> <br>
<b>主题:</b> Re: [QE-users] Fw: Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation<br>
<br>
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                                                                        You just need to edit a single line:
                                                                </div>
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                                                                        <br>
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                                                                        $ diff espresso/qe-6.5/PP/src/pw2bgw.f90 ~/q-e-dev/PP/src
                                                                </div>
1353c1353<br>
<     IF ( nspin==2 ) CALL rhoz_or_updw(rho, 'r_and_g', 'updw_rhoz')<br>
---<br>
                                                                <div>
                                                                        >     IF ( nspin==2 ) CALL rhoz_or_updw(rho, 'only_g', '->updw')
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                                                                        <br>
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                                                                <div>
                                                                        Paolo<br>
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                                                                        On Wed, Apr 29, 2020 at 8:19 AM <<a href="mailto:zhangkan3@mail.sysu.edu.cn" target="_blank">zhangkan3@mail.sysu.edu.cn</a>> wrote:<br>
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                                                                        <p>
                                                                                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.
                                                                        </p>
                                                                        <p>
                                                                                all best
                                                                        </p>
                                                                        <p>
                                                                                Kan Zhang 
                                                                        </p>
                                                                        <blockquote style="padding-left:5px;margin-right:0px;margin-left:5px;border-left-color:#B6B6B6;border-left-width:2px;border-left-style:solid;">
                                                                                -----原始邮件-----<br>
<b>发件人:</b><span id="gmail-m_5906041835144881034gmail-m_5879542898750509978gmail-m_-6701781265996008239rc_from"><a href="mailto:zhangkan3@mail.sysu.edu.cn" target="_blank">zhangkan3@mail.sysu.edu.cn</a></span><br>
<b>发送时间:</b><span id="gmail-m_5906041835144881034gmail-m_5879542898750509978gmail-m_-6701781265996008239rc_senttime">2020-04-29 09:48:41 (星期三)</span><br>
<b>收件人:</b> <a href="mailto:ferrariruffino.fz@gmail.com" target="_blank">ferrariruffino.fz@gmail.com</a><br>
<b>抄送:</b> <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<b>主题:</b> Error in routine "rhoz_or_updw" when do a pw2bgw.x calculation<br>
<br>
                                                                                <p>
                                                                                        Hello, thank you, first.
                                                                                </p>
                                                                                <p>
                                                                                        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 <a style="text-align:left;color:#2E2E2E;text-transform:none;text-indent:0px;letter-spacing:normal;font-size:13.93px;font-style:normal;font-variant:normal;font-weight:400;text-decoration:none;word-spacing:0px;white-space:normal;box-sizing:border-box;background-color:transparent;" href="https://gitlab.com/QEF/q-e/-/blob/4132a64778b91c4b090d0213938e00d7b2b64b10/PP/src/pw2bgw.f90" target="_blank"><strong style="font-weight:bold;box-sizing:border-box;">pw2bgw.f90</strong></a> is only replacing the original one is OK? If it is possible, I want this way, cause the compile time is too long.
                                                                                </p>
                                                                                <p>
                                                                                        All best,
                                                                                </p>
                                                                                <p>
                                                                                        -----------------------------------
                                                                                </p>
                                                                                <p>
                                                                                        Hello, this bug should have been fixed a few months ago:<br>
<a href="https://lists.quantum-espresso.org/pipermail/developers/2020-January/002159.html" target="_blank"><u><span style="color:#0066CC;">https://lists.quantum-espresso.org/pipermail/developers/2020-January/002159.html</span></u></a><br>
Please try your job with the develop version of qe available on gitlab.<br>
Best regards
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                                                                                                Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
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                                                                        Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
<br>
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                                                Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
<br>
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