[QE-developers] [SPAM] R: QE developers' meeting in presence January 7th in Trieste

Thu Nov 21 09:45:43 CET 2024

Hi Stefano,

Then, we are very happy to join the in-person meeting in January.

Fabio

www.cineca.it
Fabio Affinito
Responsabile Supporto Specialistico & R&D
Direzione HPC Supercalcolo
Sede di Bologna 2
via Magnanelli 2, Casalecchio Di Reno
+39 0516171794
f.affinito at cineca.it
________________________________
Da: Stefano Baroni <BARONI at sissa.it>
Inviato: giovedì 21 novembre 2024 09:32
A: Fabio Affinito <f.affinito at cineca.it>
Cc: Pietro Davide Delugas <pdelugas at sissa.it>; developers at lists.quantum-espresso.org <developers at lists.quantum-espresso.org>; Paolo Giannozzi <paolo.giannozzi at uniud.it>; Davide Brunato <brunato at sissa.it>; Bainglass, Edan <Edan.Bainglass at unt.edu>; Fabrizio Ferrari Ruffino <faferrar at sissa.it>; Andrea Ferretti <andrea.ferretti at nano.cnr.it>; Ivan Carnimeo <icarnimeo at sissa.it>; lorenzo.paulatto at upmc.fr <lorenzo.paulatto at upmc.fr>; Davide Ceresoli <davide.ceresoli at cnr.it>; Oscar Baseggio <obaseggi at sissa.it>; Pietro Bonfà <pietro.bonfa at unipr.it>; matteo.cococcioni at unipv.it <matteo.cococcioni at unipv.it>; Nicola Marzari <nicola.marzari at epfl.ch>; Michele Pavanello <m.pavanello at rutgers.edu>; Stefano de Gironcoli <degironc at sissa.it>; Andrea Dal Corso <dalcorso at sissa.it>; Layla Martin-Samos Colomer <marsamos at sissa.it>; Andreussi, Oliviero <Oliviero.Andreussi at unt.edu>; Sergio Orlandini <s.orlandini at cineca.it>; Laura Bellentani <l.bellentani at cineca.it>; giacomo.rossi at intel.com <giacomo.rossi at intel.com>; Samuel Poncé <samuel.pon at gmail.com>; Feliciano Giustino <fgiustino at oden.utexas.edu>; Qiao Junfeng <junfeng.qiao at epfl.ch>; Bercx Marnik <marnik.bercx at epfl.ch>; yeluo at anl.gov <yeluo at anl.gov>; Daniele Cesarini <d.cesarini at cineca.it>; Sasha Fonari <alexandr.fonari at schrodinger.com>; Jacob Gavartin <jacob.gavartin at schrodinger.com>; jaemolim96 at gmail.com <jaemolim96 at gmail.com>; xs161 at newark.rutgers.edu <xs161 at newark.rutgers.edu>; Filippo Spiga <fspiga at nvidia.com>; Giovanni Pizzi <giovanni.pizzi at epfl.ch>; Marco.BuongiornoNardelli at unt.edu <Marco.BuongiornoNardelli at unt.edu>; mandal.sagarmoy at fau.de <mandal.sagarmoy at fau.de>; Tobias Kloeffel <tobias.kloeffel at fau.de>; Riccardo Bertossa <rbertoss at sissa.it>; Federico Ficarelli <f.ficarelli at cineca.it>; hsin-yu.ko at cornell.edu <hsin-yu.ko at cornell.edu>; distasio at cornell.edu <distasio at cornell.edu>; Nicola Spallanzani <nicola.spallanzani at nano.cnr.it>; sabyasachi.tiwari at austin.utexas.edu <sabyasachi.tiwari at austin.utexas.edu>; Falletta, Stefano <stefanofalletta at g.harvard.edu>; Neven Golenic <ngolenic at sissa.it>; Eric Macke <emacke at uni-bremen.de>; iurii.timrov at psi.ch <iurii.timrov at psi.ch>; Andrea Urru <au168 at physics.rutgers.edu>; Antimo Marrazzo <amarrazz at sissa.it>; Piero Altoè <paltoe at nvidia.com>; Colonna Nicola (PSI) <nicola.colonna at psi.ch>; arita at riken.jp <arita at riken.jp>
Oggetto: Re: QE developers' meeting in presence January 7th in Trieste

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

On 21 Nov 2024, at 09:13, Fabio Affinito <f.affinito at cineca.it> wrote:

Dear all,

As of Cineca we would be happy to provide you some updates on two topics we are working on:

  *
data collection for training a NN-based performance model (by M. Safari)
  *
integration of QM/MM with MIMIC in QE (by A. Acocella)

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?

Best,

Fabio
<image402071.png><http://www.cineca.it/>
www.cineca.it<http://www.cineca.it/>
<image595932.png><https://urldefense.com/v3/__https://twitter.com/cineca1969__;!!P1tgJ-3e!DLKwGuaR5Lmxp-KrF2Rz-w9EgtEHmI6G2KhqL48V1uUWyOk1y8Mm5MrcNMeHCNtpzx3lksPQBYqsXh6K6A$>
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Fabio Affinito
Responsabile Supporto Specialistico & R&D
Direzione HPC Supercalcolo
Sede di Bologna 2
via Magnanelli 2, Casalecchio Di Reno
<image705726.png>
+39 0516171794
<image696639.png>
f.affinito at cineca.it<mailto:f.affinito at cineca.it>
________________________________
Da: Pietro Davide Delugas <pdelugas at sissa.it<mailto:pdelugas at sissa.it>>
Inviato: martedì 19 novembre 2024 09:43
A: developers at lists.quantum-espresso.org<mailto:developers at lists.quantum-espresso.org> <developers at lists.quantum-espresso.org<mailto:developers at lists.quantum-espresso.org>>; Paolo Giannozzi <paolo.giannozzi at uniud.it<mailto:paolo.giannozzi at uniud.it>>; Stefano Baroni <baroni at sissa.it<mailto:baroni at sissa.it>>; Davide Brunato <brunato at sissa.it<mailto:brunato at sissa.it>>; Bainglass, Edan <Edan.Bainglass at unt.edu<mailto:Edan.Bainglass at unt.edu>>; Fabio Affinito <f.affinito at cineca.it<mailto:f.affinito at cineca.it>>; Fabrizio Ferrari Ruffino <faferrar at sissa.it<mailto:faferrar at sissa.it>>; Andrea Ferretti <andrea.ferretti at nano.cnr.it<mailto:andrea.ferretti at nano.cnr.it>>; Ivan Carnimeo <icarnimeo at sissa.it<mailto:icarnimeo at sissa.it>>; lorenzo.paulatto at upmc.fr<mailto:lorenzo.paulatto at upmc.fr> <lorenzo.paulatto at upmc.fr<mailto:lorenzo.paulatto at upmc.fr>>; Davide Ceresoli <davide.ceresoli at cnr.it<mailto:davide.ceresoli at cnr.it>>; Oscar Baseggio <obaseggi at sissa.it<mailto:obaseggi at sissa.it>>; Pietro Bonfa <pietro.bonfa at unipr.it<mailto:pietro.bonfa at unipr.it>>; matteo.cococcioni at unipv.it<mailto:matteo.cococcioni at unipv.it><matteo.cococcioni at unipv.it<mailto:matteo.cococcioni at unipv.it>>; Nicola Marzari <nicola.marzari at epfl.ch<mailto:nicola.marzari at epfl.ch>>; Michele Pavanello <m.pavanello at rutgers.edu<mailto:m.pavanello at rutgers.edu>>; Stefano de Gironcoli <degironc at sissa.it<mailto:degironc at sissa.it>>; Andrea Dal Corso <dalcorso at sissa.it<mailto:dalcorso at sissa.it>>; Layla Martin-Samos Colomer <marsamos at sissa.it<mailto:marsamos at sissa.it>>; Andreussi, Oliviero <Oliviero.Andreussi at unt.edu<mailto:Oliviero.Andreussi at unt.edu>>; Sergio Orlandini <s.orlandini at cineca.it<mailto:s.orlandini at cineca.it>>; Laura Bellentani <l.bellentani at cineca.it<mailto:l.bellentani at cineca.it>>; giacomo.rossi at intel.com<mailto:giacomo.rossi at intel.com><giacomo.rossi at intel.com<mailto:giacomo.rossi at intel.com>>; Samuel Poncé <samuel.pon at gmail.com<mailto:samuel.pon at gmail.com>>; Feliciano Giustino <fgiustino at oden.utexas.edu<mailto:fgiustino at oden.utexas.edu>>; Qiao Junfeng <junfeng.qiao at epfl.ch<mailto:junfeng.qiao at epfl.ch>>; Bercx Marnik <marnik.bercx at epfl.ch<mailto:marnik.bercx at epfl.ch>>; yeluo at anl.gov<mailto:yeluo at anl.gov> <yeluo at anl.gov<mailto:yeluo at anl.gov>>; Daniele Cesarini <d.cesarini at cineca.it<mailto:d.cesarini at cineca.it>>; Sasha Fonari <alexandr.fonari at schrodinger.com<mailto:alexandr.fonari at schrodinger.com>>; jacob.gavartin at schrodinger.com<mailto:jacob.gavartin at schrodinger.com> <jacob.gavartin at schrodinger.com<mailto:jacob.gavartin at schrodinger.com>>; jaemolim96 at gmail.com<mailto:jaemolim96 at gmail.com> <jaemolim96 at gmail.com<mailto:jaemolim96 at gmail.com>>; xs161 at newark.rutgers.edu<mailto:xs161 at newark.rutgers.edu> <xs161 at newark.rutgers.edu<mailto:xs161 at newark.rutgers.edu>>; Filippo Spiga <fspiga at nvidia.com<mailto:fspiga at nvidia.com>>; Giovanni Pizzi <giovanni.pizzi at epfl.ch<mailto:giovanni.pizzi at epfl.ch>>; Marco.BuongiornoNardelli at unt.edu<mailto:Marco.BuongiornoNardelli at unt.edu> <Marco.BuongiornoNardelli at unt.edu<mailto:Marco.BuongiornoNardelli at unt.edu>>; mandal.sagarmoy at fau.de<mailto:mandal.sagarmoy at fau.de><mandal.sagarmoy at fau.de<mailto:mandal.sagarmoy at fau.de>>; Tobias Kloeffel <tobias.kloeffel at fau.de<mailto:tobias.kloeffel at fau.de>>; Riccardo Bertossa <rbertoss at sissa.it<mailto:rbertoss at sissa.it>>; Federico Ficarelli <f.ficarelli at cineca.it<mailto:f.ficarelli at cineca.it>>; hsin-yu.ko at cornell.edu<mailto:hsin-yu.ko at cornell.edu> <hsin-yu.ko at cornell.edu<mailto:hsin-yu.ko at cornell.edu>>;distasio at cornell.edu<mailto:distasio at cornell.edu> <distasio at cornell.edu<mailto:distasio at cornell.edu>>; Nicola Spallanzani <nicola.spallanzani at nano.cnr.it<mailto:nicola.spallanzani at nano.cnr.it>>; sabyasachi.tiwari at austin.utexas.edu<mailto:sabyasachi.tiwari at austin.utexas.edu> <sabyasachi.tiwari at austin.utexas.edu<mailto:sabyasachi.tiwari at austin.utexas.edu>>; Falletta, Stefano <stefanofalletta at g.harvard.edu<mailto:stefanofalletta at g.harvard.edu>>; Neven Golenic <ngolenic at sissa.it<mailto:ngolenic at sissa.it>>; Eric Macke <emacke at uni-bremen.de<mailto:emacke at uni-bremen.de>>; iurii.timrov at psi.ch<mailto:iurii.timrov at psi.ch> <iurii.timrov at psi.ch<mailto:iurii.timrov at psi.ch>>; Andrea Urru <au168 at physics.rutgers.edu<mailto:au168 at physics.rutgers.edu>>; Antimo Marrazzo <amarrazz at sissa.it<mailto:amarrazz at sissa.it>>; Piero Altoe <paltoe at nvidia.com<mailto:paltoe at nvidia.com>>; Colonna Nicola (PSI) <nicola.colonna at psi.ch<mailto:nicola.colonna at psi.ch>>; arita at riken.jp<mailto:arita at riken.jp> <arita at riken.jp<mailto:arita at riken.jp>>
Oggetto: QE developers' meeting in presence January 7th in Trieste

Dear all
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 theafternoon of January 7th.

Please let us know if you will be able to attend.

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.

In the meantime, we will also have an online QE developers' meeting in December.

Please fill out the poll at this link to choose a date:
 https://www.when2meet.com/?27649033-cl4fO<https://urldefense.com/v3/__https://www.when2meet.com/?27649033-cl4fO__;!!P1tgJ-3e!Be5cRqHLOFjj0vyvr9ECph3m1B5gVJiXNR9gTYeyzHphNgaiho897YIgJ0kjWFr85S0WIjXyC76_HV1KMovX$>
Thanks and best regards
Pietro

—
Stefano Baroni - Trieste —  http://stefano.baroni.me<https://urldefense.com/v3/__http://stefano.baroni.me__;!!P1tgJ-3e!DLKwGuaR5Lmxp-KrF2Rz-w9EgtEHmI6G2KhqL48V1uUWyOk1y8Mm5MrcNMeHCNtpzx3lksPQBYoFY5Pciw$>

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