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--></style></head><body lang=EN-US link=blue vlink="#954F72"><div class=WordSection1><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'>You may want to give a try to 6.6 rc <o:p></o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'>https://gitlab.com/QEF/q-e/-/archive/qe-6.6rc/q-e-qe-6.6rc.tar.gz<o:p></o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p><p class=MsoNormal>Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">Mail</a> for Windows 10</p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p><div style='mso-element:para-border-div;border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0in 0in 0in'><p class=MsoNormal style='border:none;padding:0in'><b>From: </b><a href="mailto:paulatz@gmail.com">Lorenzo Paulatto</a><br><b>Sent: </b>Monday, July 20, 2020 4:15 PM<br><b>To: </b><a href="mailto:developers@lists.quantum-espresso.org">developers@lists.quantum-espresso.org</a><br><b>Subject: </b>Re: [QE-developers] Parallelizing linear response calculations overoptimal number of pools</p></div><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>> In fact, the bottleneck stems from when the wavefunction is read from </p><p class=MsoNormal>> the SCF calculation through "PW/src/read_file_new.f90”. There, </p><p class=MsoNormal>> "divide_et_impera” is called which fails if -npools is larger than </p><p class=MsoNormal>> nkstot from the SCF.</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>It does not fail anymore in version 6.6 of the code which should be out </p><p class=MsoNormal>soon, although this specific case has not been tested very much. While </p><p class=MsoNormal>waiting, you can use the tricks of running pw with more k-points than </p><p class=MsoNormal>necessary, than specify nk1, nk2 ad nk3 in the input of phonon.</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>cheers</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>-- </p><p class=MsoNormal>Lorenzo Paulatto - Paris</p><p class=MsoNormal>_______________________________________________</p><p class=MsoNormal>developers mailing list</p><p class=MsoNormal>developers@lists.quantum-espresso.org</p><p class=MsoNormal>https://lists.quantum-espresso.org/mailman/listinfo/developers</p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p></div></body></html>