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I am confused: the Total Energy meeting is already scheduled in January. I’d really love to hear from Mandana and Acocella. Would January 7th suit you guys in CINECA? Stefano<br id="lineBreakAtBeginningOfMessage">
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<div>On 21 Nov 2024, at 09:13, Fabio Affinito <f.affinito@cineca.it> wrote:</div>
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Dear all,</div>
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As of Cineca we would be happy to provide you some updates on two topics we are working on:</div>
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<div class="elementToProof">data collection for training a NN-based performance model (by M. Safari)</div>
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<div class="elementToProof">integration of QM/MM with MIMIC in QE (by A. Acocella)</div>
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I don't think we will be able to attend the Total Energy in Trieste. Do you think it will be suitable to discuss these two topics on the next meeting (if time permits) or to postpone it to January?</div>
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Best,</div>
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Fabio </div>
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<font face="Calibri, sans-serif" style="font-size: 11pt;"><b>Da:</b><span class="Apple-converted-space"> </span>Pietro Davide Delugas <<a href="mailto:pdelugas@sissa.it">pdelugas@sissa.it</a>><br>
<b>Inviato:</b><span class="Apple-converted-space"> </span>martedì 19 novembre 2024 09:43<br>
<b>A:</b><span class="Apple-converted-space"> </span><a href="mailto:developers@lists.quantum-espresso.org">developers@lists.quantum-espresso.org</a><span class="Apple-converted-space"> </span><<a href="mailto:developers@lists.quantum-espresso.org">developers@lists.quantum-espresso.org</a>>;
Paolo Giannozzi <<a href="mailto:paolo.giannozzi@uniud.it">paolo.giannozzi@uniud.it</a>>; Stefano Baroni <<a href="mailto:baroni@sissa.it">baroni@sissa.it</a>>; Davide Brunato <<a href="mailto:brunato@sissa.it">brunato@sissa.it</a>>; Bainglass, Edan <<a href="mailto:Edan.Bainglass@unt.edu">Edan.Bainglass@unt.edu</a>>;
Fabio Affinito <<a href="mailto:f.affinito@cineca.it">f.affinito@cineca.it</a>>; Fabrizio Ferrari Ruffino <<a href="mailto:faferrar@sissa.it">faferrar@sissa.it</a>>; Andrea Ferretti <<a href="mailto:andrea.ferretti@nano.cnr.it">andrea.ferretti@nano.cnr.it</a>>;
Ivan Carnimeo <<a href="mailto:icarnimeo@sissa.it">icarnimeo@sissa.it</a>>;<span class="Apple-converted-space"> </span><a href="mailto:lorenzo.paulatto@upmc.fr">lorenzo.paulatto@upmc.fr</a><span class="Apple-converted-space"> </span><<a href="mailto:lorenzo.paulatto@upmc.fr">lorenzo.paulatto@upmc.fr</a>>;
Davide Ceresoli <<a href="mailto:davide.ceresoli@cnr.it">davide.ceresoli@cnr.it</a>>; Oscar Baseggio <<a href="mailto:obaseggi@sissa.it">obaseggi@sissa.it</a>>; Pietro Bonfa <<a href="mailto:pietro.bonfa@unipr.it">pietro.bonfa@unipr.it</a>>;<span class="Apple-converted-space"> </span><a href="mailto:matteo.cococcioni@unipv.it">matteo.cococcioni@unipv.it</a><<a href="mailto:matteo.cococcioni@unipv.it">matteo.cococcioni@unipv.it</a>>;
Nicola Marzari <<a href="mailto:nicola.marzari@epfl.ch">nicola.marzari@epfl.ch</a>>; Michele Pavanello <<a href="mailto:m.pavanello@rutgers.edu">m.pavanello@rutgers.edu</a>>; Stefano de Gironcoli <<a href="mailto:degironc@sissa.it">degironc@sissa.it</a>>;
Andrea Dal Corso <<a href="mailto:dalcorso@sissa.it">dalcorso@sissa.it</a>>; Layla Martin-Samos Colomer <<a href="mailto:marsamos@sissa.it">marsamos@sissa.it</a>>; Andreussi, Oliviero <<a href="mailto:Oliviero.Andreussi@unt.edu">Oliviero.Andreussi@unt.edu</a>>;
Sergio Orlandini <<a href="mailto:s.orlandini@cineca.it">s.orlandini@cineca.it</a>>; Laura Bellentani <<a href="mailto:l.bellentani@cineca.it">l.bellentani@cineca.it</a>>;<span class="Apple-converted-space"> </span><a href="mailto:giacomo.rossi@intel.com">giacomo.rossi@intel.com</a><<a href="mailto:giacomo.rossi@intel.com">giacomo.rossi@intel.com</a>>;
Samuel Poncé <<a href="mailto:samuel.pon@gmail.com">samuel.pon@gmail.com</a>>; Feliciano Giustino <<a href="mailto:fgiustino@oden.utexas.edu">fgiustino@oden.utexas.edu</a>>; Qiao Junfeng <<a href="mailto:junfeng.qiao@epfl.ch">junfeng.qiao@epfl.ch</a>>; Bercx
Marnik <<a href="mailto:marnik.bercx@epfl.ch">marnik.bercx@epfl.ch</a>>;<span class="Apple-converted-space"> </span><a href="mailto:yeluo@anl.gov">yeluo@anl.gov</a><span class="Apple-converted-space"> </span><<a href="mailto:yeluo@anl.gov">yeluo@anl.gov</a>>;
Daniele Cesarini <<a href="mailto:d.cesarini@cineca.it">d.cesarini@cineca.it</a>>; Sasha Fonari <<a href="mailto:alexandr.fonari@schrodinger.com">alexandr.fonari@schrodinger.com</a>>;<span class="Apple-converted-space"> </span><a href="mailto:jacob.gavartin@schrodinger.com">jacob.gavartin@schrodinger.com</a><span class="Apple-converted-space"> </span><<a href="mailto:jacob.gavartin@schrodinger.com">jacob.gavartin@schrodinger.com</a>>;<span class="Apple-converted-space"> </span><a href="mailto:jaemolim96@gmail.com">jaemolim96@gmail.com</a><span class="Apple-converted-space"> </span><<a href="mailto:jaemolim96@gmail.com">jaemolim96@gmail.com</a>>;<span class="Apple-converted-space"> </span><a href="mailto:xs161@newark.rutgers.edu">xs161@newark.rutgers.edu</a><span class="Apple-converted-space"> </span><<a href="mailto:xs161@newark.rutgers.edu">xs161@newark.rutgers.edu</a>>;
Filippo Spiga <<a href="mailto:fspiga@nvidia.com">fspiga@nvidia.com</a>>; Giovanni Pizzi <<a href="mailto:giovanni.pizzi@epfl.ch">giovanni.pizzi@epfl.ch</a>>;<span class="Apple-converted-space"> </span><a href="mailto:Marco.BuongiornoNardelli@unt.edu">Marco.BuongiornoNardelli@unt.edu</a><span class="Apple-converted-space"> </span><<a href="mailto:Marco.BuongiornoNardelli@unt.edu">Marco.BuongiornoNardelli@unt.edu</a>>;<span class="Apple-converted-space"> </span><a href="mailto:mandal.sagarmoy@fau.de">mandal.sagarmoy@fau.de</a><<a href="mailto:mandal.sagarmoy@fau.de">mandal.sagarmoy@fau.de</a>>;
Tobias Kloeffel <<a href="mailto:tobias.kloeffel@fau.de">tobias.kloeffel@fau.de</a>>; Riccardo Bertossa <<a href="mailto:rbertoss@sissa.it">rbertoss@sissa.it</a>>; Federico Ficarelli <<a href="mailto:f.ficarelli@cineca.it">f.ficarelli@cineca.it</a>>;<span class="Apple-converted-space"> </span><a href="mailto:hsin-yu.ko@cornell.edu">hsin-yu.ko@cornell.edu</a><span class="Apple-converted-space"> </span><<a href="mailto:hsin-yu.ko@cornell.edu">hsin-yu.ko@cornell.edu</a>>;<a href="mailto:distasio@cornell.edu">distasio@cornell.edu</a><span class="Apple-converted-space"> </span><<a href="mailto:distasio@cornell.edu">distasio@cornell.edu</a>>;
Nicola Spallanzani <<a href="mailto:nicola.spallanzani@nano.cnr.it">nicola.spallanzani@nano.cnr.it</a>>;<span class="Apple-converted-space"> </span><a href="mailto:sabyasachi.tiwari@austin.utexas.edu">sabyasachi.tiwari@austin.utexas.edu</a><span class="Apple-converted-space"> </span><<a href="mailto:sabyasachi.tiwari@austin.utexas.edu">sabyasachi.tiwari@austin.utexas.edu</a>>;
Falletta, Stefano <<a href="mailto:stefanofalletta@g.harvard.edu">stefanofalletta@g.harvard.edu</a>>; Neven Golenic <<a href="mailto:ngolenic@sissa.it">ngolenic@sissa.it</a>>; Eric Macke <<a href="mailto:emacke@uni-bremen.de">emacke@uni-bremen.de</a>>;<span class="Apple-converted-space"> </span><a href="mailto:iurii.timrov@psi.ch">iurii.timrov@psi.ch</a><span class="Apple-converted-space"> </span><<a href="mailto:iurii.timrov@psi.ch">iurii.timrov@psi.ch</a>>;
Andrea Urru <<a href="mailto:au168@physics.rutgers.edu">au168@physics.rutgers.edu</a>>; Antimo Marrazzo <<a href="mailto:amarrazz@sissa.it">amarrazz@sissa.it</a>>; Piero Altoe <<a href="mailto:paltoe@nvidia.com">paltoe@nvidia.com</a>>; Colonna Nicola (PSI)
<<a href="mailto:nicola.colonna@psi.ch">nicola.colonna@psi.ch</a>>;<span class="Apple-converted-space"> </span><a href="mailto:arita@riken.jp">arita@riken.jp</a><span class="Apple-converted-space"> </span><<a href="mailto:arita@riken.jp">arita@riken.jp</a>><br>
<b>Oggetto:</b><span class="Apple-converted-space"> </span>QE developers' meeting in presence January 7th in Trieste</font>
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Dear all</div>
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The Total Energy workshop in ICTP, Trieste, starting January 8th, could be a good occasion to meet those travelling for the event. For this, we would like to organize an in-person QE developers' meeting on the<b>afternoon of January 7th.</b></div>
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Please let us know if you will be able to attend. </div>
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Sorry for those coming to Trieste who have already made incompatible travel arrangements. We can also set up small, separate meetings without interfering with the workshop activities.</div>
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In the meantime, we will also have an online QE developers' meeting in<span class="Apple-converted-space"> </span><b>December.</b> </div>
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Please fill out the poll at this link to choose a date:</div>
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<span style="color: rgb(74, 110, 224);"><a href="https://urldefense.com/v3/__https://www.when2meet.com/?27649033-cl4fO__;!!P1tgJ-3e!Be5cRqHLOFjj0vyvr9ECph3m1B5gVJiXNR9gTYeyzHphNgaiho897YIgJ0kjWFr85S0WIjXyC76_HV1KMovX$" target="_blank" id="OWA2100e726-cbbd-fd1c-3813-fc88adc7de83" class="x_editor-rtfLink x_OWAAutoLink" style="color: rgb(74, 110, 224); margin-top: 0pt; margin-bottom: 0pt;">https://www.when2meet.com/?27649033-cl4fO</a></span></div>
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Thanks and best regards</div>
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Pietro</div>
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<div style="margin: 0px;"><font class="Apple-style-span"><span style="font-size: 12px;">Stefano Baroni - Trieste — </span><a href="http://stefano.baroni.me" style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-stroke-width: 0px;">http://stefano.baroni.me</a><span style="font-size: 12px;"> </span></font></div>
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