In e im epo on Communi y ou each, Educa ion, and T aining
Mul iXscale Deli e able 6.3
Deli e able Type: Repo
Deli e ed in June, 2025
Mul iXscale
Eu oHPC Cen e o Excellence o
Mul iscale Modelling
Acknowledgemen
Funded by he Eu opean Union. This wo k has ecei ed unding om he Eu opean High Pe o mance Compu ing Join
Unde aking (JU) unde g an ag eemen No 101093169.
Disclaime
Funded by he Eu opean Union. Views and opinions exp essed a e howe e hose o he au ho (s) only and do no necessa ily
e lec hose o he Eu opean Union o he Eu opean High Pe o mance Compu ing Join Unde aking (JU). Nei he he Eu opean
Union no he g an ing au ho i y can be held esponsible o hem.
Mul iXscale Deli e able 6.3 Page ii
P ojec and Deli e able In o ma ion
P ojec Ti le Mul iXscale: Eu oHPC Cen e o Excellence o Mul iscale Modelling
P ojec Re . G an Ag eemen 101093169
P ojec Websi e h ps://www.mul ixscale.eu
Eu oHPC P ojec O ice D . Ma eo Mascagni
Deli e able ID D6.3
Deli e able Na u e Repo
Dissemina ion Le el Public
Con ac ual Da e o Deli e y P ojec Mon h 30 (30 h June, 2025)
Ac ual Da e o Deli e y 27 h June, 2025
Desc ip ion o Deli e able In e im epo co e ing p og ess in Task 6.3 ela ing o aining ma e ial c ea ion
and deli e y.
Documen Con ol In o ma ion
Documen
Ti le: In e im epo on Communi y ou each, Educa ion, and T aining
ID: D6.3
Ve sion: As o June, 2025
S a us: Accep ed by S ee ing Commi ee
A ailable a : h ps://www.mul ixscale.eu/deli e ables
Documen his o y: In e nal P ojec Managemen Link
Re iew Re iew S a us: Re iewed
Au ho ship
W i en by: Neja Šamec (NIC)
Con ibu o s: Alan O’Cais (UB), Pe a Papež (NIC)
Re iewed by: Helena Vela (HPCNow!)
App o ed by: Alan O’Cais (UB)
Documen Keywo ds
Keywo ds: Mul iXscale, HPC, so wa e, aining, in as uc u e
27 h June, 2025
Disclaime : This deli e able has been p epa ed by he esponsible Wo k Package o he P ojec in acco dance wi h he
Conso ium Ag eemen and he G an Ag eemen . I solely e lec s he opinion o he pa ies o such ag eemen s on a
collec i e basis in he con ex o he P ojec and o he ex en o eseen in such ag eemen s.
Copy igh no ices: This deli e able was co-o dina ed by Neja Šamec1(NIC) on behal o he Mul iXscale conso ium
wi h con ibu ions om Alan O’Cais (UB), Pe a Papež (NIC) . This wo k is licensed unde he C ea i e Commons A i-
bu ion 4.0 In e na ional License. To iew a copy o his license, isi :
h p://c ea i ecommons.o g/licenses/by/4.0
cb
1[email p o ec ed]
Mul iXscale Deli e able 6.3 Page iii
Con en s
Execu i e Summa y 1
1 In oduc ion 3
1.1 Ta ge audience . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
1.2 Deli e able ou line . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
1.3 Pa ne con ibu ions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
2 Awa eness aising in he communi y 4
2.1 (Eu o)HPC ecosys em e en s and ac i i ies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4
2.2 CASTIEL2 eco-sys em e en s and ac i i ies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5
2.3 O he e en s and ac i i ies .............................................. 6
3 Communi y-o ien ed aining e en s 8
3.1 CECAM Flagship Wo kshop .............................................. 8
3.1.1 Scien i ic P og am . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8
3.1.2 E en s a is ics and eedback . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9
3.2 ESPResSo CECAM Flagship School . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11
3.2.1 Scien i ic P og am 2024 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11
3.2.2 E en s a is ics and eedback . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12
3.2.3 ESPResSo School 2023 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
3.2.4 ESPResSo School 2024 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
3.3 Mul iXscale CECAM Webina — Suppo ing he De elopmen o Mul iscale Me hods ia EESSI . . . . . . 14
3.4 Mul iXscale Hacka hon collabo a ion wi h NCC Slo enia . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15
4 Technical aining e en s 16
4.1 In oduc ion o Eu opean En i onmen o Scien i ic So wa e Ins alla ions (EESSI) . . . . . . . . . . . . 16
4.1.1 E en s whe e "An In oduc ion o EESSI" has been gi en . . . . . . . . . . . . . . . . . . . . . . . . 16
4.2 EESSI webina se ies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17
4.2.1 Webina Se ies P og am . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17
4.2.2 E en s a is ics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18
4.3 O he echnical u o ials and webina s . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19
4.3.1 EESSI u o ial a HiPEAC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19
4.3.2 "F om ze o o cloud ( he EESSI way)" . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19
4.3.3 EESSI used in an ESiWACE CoE webina on Ex ae + Pa a e . . . . . . . . . . . . . . . . . . . . . . 20
Re e ences 21
Lis o Figu es
1 G aphical summa y o he a endance a he Cen e Eu opéen de Calcul A omique e Moléculai e (CECAM)
wo kshop. The op le panel p o ides in o ma ion abou in-pe son and online pa icipa ion, he mid-
dle panel shows he gende spli , and he igh panel displays he sec o s om which pa icipan s came.
The bo om panel depic s demog aphic in o ma ion, whe e la ge bubbles indica e g ea e numbe o
pa icipan s om ha coun y. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10
2 Summa y o he a endance a he ESPResSo wo kshops in yea s 2023 and 2024. No e ha in 2024, he
ESPResSo wo kshop was held only in he on-si e o ma . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12
3 A endance in o ma ion ela ed o he gende spli a he Mul iXscale Hacka hon. . . . . . . . . . . . . . . 15
4 G aph showing he pa icipan a endance ac oss he EESSI webina sessions. . . . . . . . . . . . . . . . . 18
5 G aph de ailing he a endance in o ma ion o egis e ed pa icipan s in he EESSI webina se ies. . . . . 19
Lis o Tables
1"Modeling & Simula ion o Fluid-S uc u e In e ac ions Ac oss Scales" Flagship Wo kshop schedule . . . 8
2Simula ing so ma e ac oss scales school schedule . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11
Mul iXscale Deli e able 6.3 Page 1
Execu i e Summa y
The Mul iXscale Cen e o Excellence has ac i ely pa icipa ed in a a ie y o e en s and ini ia i es o u he aise
awa eness o i s wo k wi hin he High Pe o mance Compu ing (HPC) communi y and beyond. These e o s a e pa
o Task 6.1 "Awa eness aising in he communi y" and Task 6.3 "Gene a ing and p o iding aining con en ".
•Awa eness aising in he communi y (Sec ion 2)
One o he key highligh s o he Mul iXscale ac i i ies is he pa icipa ion in majo HPC e en s, such as he
Eu oHPC Summi in 2024 and 2025. A hese e en s, Mul iXscale was ea u ed h ough alks, demons a ions,
and pos e p esen a ions. Fu he mo e, he Eu opean En i onmen o Scien i ic So wa e Ins alla ions (EESSI)
sha ed so wa e s ack was showcased on one o he Eu oHPC supe compu e s, unde sco ing i s signi icance in
he b oade hemes o in e ope abili y and os e ing collabo a ions ac oss HPC in as uc u es.
In addi ion o hese e en s, he Mul iXscale CoE has been ac i ely in ol ed in se e al CASTIEL2- ela ed e en s,
including he Aus ian-Slo enian HPC Mee ing 2024, he indus y-o ien ed No dic Indus y Days 2024, and he
Exascale Day ou each e en . These engagemen ha e helped o s eng hen Mul iXscale collabo a ion wi h he
b oade HPC communi y a bo h egional and in e na ional le el. Pa icipa ion in he T aining Co ee B eak and
Code o he Mon h u he demons a ed Mul iXscale commi men o knowledge-sha ing ini ia i es wi hin he
b oade HPC communi y.
Mo eo e , Mul iXscale has achie ed signi ican success in demons a ing he capabili ies o he EESSI so wa e
s ack, as e idenced by a success s o y deli e ed in pa ne ship wi h he SKA p ojec . This collabo a ion show-
cased how EESSI can suppo complex wo k lows, esul ing in pe o mance imp o emen s o up o 30%. Ad-
di ionally, EESSI has been adop ed as he cen al so wa e s ack o MUSICA, Aus ia’s new na ional sys em,
hus allowing he suppo eam o concen a e on si e-speci ic aspec s and use cases. These accomplishmen s
illus a e he g owing impac o EESSI as i becomes in eg a ed in o la ge-scale HPC sys ems.
Ano he no able achie emen is he ecogni ion o he EESSI con ibu ions, exempli ied by winning he p es-
igious HPCwi e Reade s’ Choice Awa d o Bes HPC P og amming Tool o Technology. This awa d e lec s
i s g owing impac wi hin he global HPC communi y. EESSI has also been ea u ed in a ious in e iews and
podcas s, u he ampli ying i s impac and each.
•Gene a ing and p o iding aining con en (Sec ions 3and 4)
Cen e Eu opéen de Calcul A omique e Moléculai e (CECAM) suppo s communi y ou each by p omo ing
collabo a ion h ough he o ganiza ion o Flagship Wo kshops ha acili a e discussions on a ious opics, in-
cluding molecula modeling and scien i ic machine lea ning.
In pa icula , we no e ha he Uni e si y o S u ga hos s an annual ESPREsSo CECAM Flagship School (held in
2023, 2024, and scheduled again o Oco be 2025). These wo kshops p omo e so ma e esea ch and aining
new membe s o he ESPResSo communi y while encou aging collabo a ion wi h so wa e de elope s (includ-
ing lead de elope s o c i ical applica ions such as waLBe la). The signi icance and impac o hese wo kshops
a e e iden om he g owing numbe o ex e nal pa icipan s, e lec ing in e es in collabo a i e esea ch e -
o s.
Con inuing his momen um, he Mul iXscale CoE, in collabo a ion wi h CECAM, hos ed a webina en i led
"Suppo ing he De elopmen o Mul iscale Me hods ia he Eu opean En i onmen o Scien i ic So wa e In-
s alla ions (EESSI)". This webina ea u ed applica ion-o ien ed p esen a ions ha demons a ed how EESSI
enhances mul iscale simula ion wo k lows, emphasizing i s ole in os e ing collabo a ion and eusabili y. The
webina aimed o aise awa eness and p omo e he adop ion o EESSI wi hin he scien i ic communi y, show-
casing Mul iXscale commi men o ad ancing simula ions in key a eas such as ba e y echnology, non-in asi e
biomedical applica ions, and o o design.
The lagship me hod-o ien ed wo kshop o he p ojec , o ganized by he Mul iXscale CoE in collabo a ion wi h
he Jülich Supe compu ing Cen e (JSC) and CECAM-IT-SISSA-SNS, was i led "Modeling & Simula ion o Fluid-
S uc u e In e ac ions Ac oss Scales" and was held o e ou days in Ap il 2025 in Ljubljana, Slo enia. This
e en ocused on cu ing-edge hyd odynamics me hods and mul iscale simula ions, and he use o he a i icial
in elligence echniques, success ully b inging oge he ep esen a i es om academia and small o medium en-
e p ises (SMEs) o acili a e knowledge exchange and collabo a ion. This wo kshop was he cen al mechanism
o each ou o he wide academic and indus ial communi y, and is in ended o be held annually.
Expanding he ou each ac i i es, he Mul iXscale Hacka hon, held in Decembe 2024 in Ljubljana as pa o he
SLING Days and o ganized in collabo a ion wi h NCC Slo enia, b ough oge he esea che and ea ly-ca ee
scien is s o hands-on expe ience in mul iscale simula ion and high-pe o mance compu ing h ough p ac ical
challenges.
Mul iXscale Deli e able 6.3 Page 2
The emphasis on echnical aining and ou each is e iden in bo h online and in-pe son e en s, ea u ing con-
en speci ically ailo ed o mul iscale modeling. In addi ion, applica ion-speci ic ainings aim o suppo e-
sea che s, s uden s, and he b oade scien i ic communi y, wi h a pa icula ocus on p o iding end-use and
de elope guidance o EESSI.
These echnical aining e en s a e designed o p o ide s uc u ed pa hways o pa icipan s o e ec i ely en-
gage wi h EESSI, ensu ing a comp ehensi e unde s anding o i s unc ionali ies and applica ions in scien i ic
so wa e deploymen and de elopmen .
A key componen o his aining is he "In oduc ion o EESSI", de eloped du ing he p ojec ’s i s epo ing
pe iod. This aining has been deli e ed mul iple imes and is in eg a ed in o a ious scien i ic u o ials o
amilia ize use s wi h he EESSI so wa e s ack and i s applica ions in HPC en i onmen s.
To suppo his ini ia i e, nume ous p omo ional e en s ha e been o ganized, including webina s and wo k-
shops ha co e a ange o opics o end use s, applica ion de elope s, and HPC adminis a o s. These ini ia-
i es aim o enhance use engagemen and acili a e a deepe unde s anding o EESSI capabili ies wi hin he
scien i ic communi y. In his con ex , se e al o he no ewo hy echnical u o ials and webina ha e been exe-
cu ed, amilia izing pa icipan s wi h Ce nVM-FS and EESSI, co e ing ins alla ion, con igu a ion, and ad anced
opics ela ed o GPU suppo . These sessions demons a ed how EESSI s anda dizes scien i ic so wa e deploy-
men ac oss a ious pla o ms, including cloud en i onmen s, and showcased he pe o mance analysis ools
o wea he and clima e applica ions.
In he case o echnical aining, he lagship aining e en was a a webina se ies ha is designed o be deli e ed
on an annual basis (and as equi ed). The se ies is in ended o co e a ange o di e en use cases:
–end use s o EESSI,
–applica ion de elope s, and,
–si es ha p o ide access o EESSI.
The i s i e a ion o he EESSI webina se ies was held in May/June 2025.

Mul iXscale Deli e able 6.3 Page 3
1 In oduc ion
This epo de ails he wo k p og ess in WP6 - "Communi y ou each, educa ion, and aining", p ima ily ocusing on
Task 6.3 ela ing o aining ma e ial c ea ion and deli e y.
1.1 Ta ge audience
The epo is in ended o p o ide an o e iew o he aining- ela ed ac i i ies o WP6 - Communi y ou each, educa-
ion, and aining o he Mul iXscale p ojec , and is p ima ily in ended o he p ojec moni o s. Fo a wide audience,
i p o ides an ou line o how aining is de eloped and used by Mul iXscale in he p ojec con ex .
1.2 Deli e able ou line
This epo is connec ed o wo speci ic asks o WP6 o Mul iXscale:
Sec ion 2:Task 6.1 - Awa eness aising in he communi y
• C ea ion o an “ele a o pi ch” p esen a ion o ensu e ea ly engagemen om he communi y ( o use by all
p ojec pa ne s).
• E en s whe e his gene al pi ch has been deli e ed.
Sec ions 3and 4:Task 6.3 - Gene a ing and p o iding aining con en
• Applica ion-speci ic aining
• Using he sha ed so wa e s ack as an end-use
• Using EESSI o c ea e po able wo k lows
• Le e aging he sha ed so wa e s ack as an applica ion de elope
• Con ibu ing an applica ion o lib a y o he sha ed so wa e s ack
• Adding o using he co ec ness, pe o mance and scalabili y es s o he sha ed so wa e s ack
• P o iding he sha ed so wa e s ack as a hos ing si e
The o he ask o WP6 has al eady been epo ed on D6.2 [1].
1.3 Pa ne con ibu ions
Con ibu ions o he ac i i es co e ed in his deli e able come om a la ge po ion o he pa ne s in he p ojec : Ub,
Uib, NIC, Ugen , RIJKSUNIGRON, Su , Hpcnow, Us u , IIT.
Mul iXscale Deli e able 6.3 Page 4
2 Awa eness aising in he communi y
While his deli e able is p ima ily in ended o co e he ac i i ies o Task 6.3 "Gene a ing and p o iding aining con-
en ", i is also ele an o epo he la ge numbe o e en s and ac i i ies ha Mul iXscale has con ibu ed o which
se e o aise awa eness o he p ojec ac i i ies, bo h in he communi y and beyond. These could be conside ed o
all unde Task 6.1 "Awa eness aising in he communi y".
The "ele a o pi ch" o Mul iXscale was c ea ed and deli e ed in he i s epo ing pe iod and deli e ed many imes
om di e en p ojec pa ne s h oughou he cu en li e o he p ojec .
Besides he ele a o pi ch we held alks, wo kshops, u o ials a many di e en e en s which a e desc ibed below.
Explici aining con en is desc ibed in Sec ions 3and 4, we es ic ou sel es in he ollowing sec ions o sessions
ha we e p ima ily in o ma ional in na u e ( hough ypically hey do include a aining componen , as he powe o
EESSI is bes demons a ed wi h his app oach).
2.1 (Eu o)HPC ecosys em e en s and ac i i ies
Mul iXscale has been ep esen ed a a la ge numbe o HPC ecosys em e en s, in pa icula hose ela ed o Eu oHPC.
These include,
• Eu oHPC Summi 2024 – An we p, Belgium
Du ing he week o 18–21 Ma ch 2024, he Eu oHPC communi y ga he ed in An we p o he annual Eu oHPC
Summi . Mul iXscale was ac i ely ep esen ed h ough alks, demos, and a pos e p esen a ion. On Monday,
18 Ma ch, he EESSI sha ed so wa e s ack was showcased a he Eu oHPC Demo Lab on he Vega supe com-
pu e . A hands-on demons a ion ea u ed ESPResSo, one o Mul iXscale’s key applica ions, used o simula e
cha ged pa icles in a capaci o . On Tuesday, 19 Ma ch, Mul iXscale was ea u ed in he "Cen es o Excellence:
Deploying Flagship Codes on Eu oHPC Supe compu e s" session. The session highligh ed how ou echnical
e o s suppo CI/CD wo k lows ac oss Eu oHPC sys ems. A Mul iXscale pos e was also p esen ed du ing he
i s pos e session, a ac ing in e es and p o iding an oppo uni y o a endees o ake home some b anded
s icke s.
• Eu oHPC Summi 2025 – K aków, Poland
The Mul iXscale pa ne s we e ac i ely engaged in he Eu oHPC Summi 2025, held om 18 o 20 Ma ch a he
ICE Cong ess Cen e in K aków. Ou in ol emen began e en be o e he o icial s a o he summi , wi h pa ic-
ipa ion in he CASTIEL2 mee ing on 17 Ma ch. Du ing he main e en , Mul iXscale was ep esen ed h ough a
dedica ed pos e p esen a ion, which p o ided an o e iew o he p ojec ’s objec i es and p og ess. The pos e
is a ailable o download on he o icial Eu oHPC Summi websi e. The p ojec ea u ed p ominen ly in he pa -
allel session i led "The Concep o Fede a ion in i s Va ious Aspec s", held on Thu sday, 20 Ma ch, om 14:00 o
15:30 in Room S3a. Du ing his session, a spo ligh was placed on EESSI (Eu opean En i onmen o Scien i ic
So wa e Ins alla ions), highligh ing i s ele ance o he b oade hemes o in e ope abili y and collabo a ion
ac oss HPC in as uc u es.
• Eu oHPC Use Day 2024 - Ams e dam, Ne he lands
We submi ed a pape en i led "Po able es un o ESPResSo on Eu oHPC sys ems ia EESSI" which was based
on an ea lie blog pos we did in June 2024. Ou submission was accep ed, and hence he pape is included in
he p oceedings o he 2nd Eu oHPC Use Day [2].
On Wednesday, he Mul iXscale p ojec was pa o he walk-in ne wo king session Applica ion Suppo , T ain-
ing and Skills. The so wa e was being p o ided ia EESSI, and we we e unning he simula ion on a ious
ha dwa e pla o ms, including:
–An on-si e clus e consis ing o 4 A m-based Raspbe y Pi 3B+ boa ds;
–A RISC-V S a Fi e VisionFi e 2 SBC;
–An A m A64FX node o he Eu oHPC sys em Deucalion;
–An A100 GPU in he Eu oHPC sys em Vega.
A endees could pa icipa e in a con es o win a Raspbe y Pi 5 s a e ki by illing ou a o m and answe ing a
couple o ques ions ela ed o Mul iXscale.
• Mul iXscale a ISC High Pe o mance 2024 – Hambu g, Ge many
Se e al Mul iXscale CoE membe s a ended ISC High Pe o mance 2024 om 12–16 May in Hambu g. ISC con-
nec s public ins i u ions, indus y use s, and de elope s in HPC, ML, and quan um compu ing. Mul iXscale
Mul iXscale Deli e able 6.3 Page 5
pa icipa ed in discussions and side e en s, con inuing o build awa eness and collabo a ions wi hin he HPC
communi y.
• Mul iXscale a ISC High Pe o mance 2025 – Hambu g, Ge many
Again, se e al Mul iXscale CoE membe s a ended ISC High Pe o mance 2025 om 10–13 June in Hambu g.
Helena Vela (HPCNow!) ga e a alk i led "Suppo ing cu ing edge de elopmen o LAMMPS wi h EESSI", high-
ligh ing he con inuous in eg a ion in as uc u e ha p o ides he p e- eleased e sions o he scien i ic so -
wa e using plugins unde de elopmen in Mul iXscale. Mul iXscale was also p esen ed a he Eu oHPC JU boo h
and Mul iXscale pa icipa ed in discussions and side e en s. We had a educed p esence a he e en as ou p o-
posal o hold a u o ial a he e en was, un o una ely, ejec ed.
• HiPEAC25: Showcasing Excellence and Inclusion in HPC Janua y 20–22, 2025 | Ba celona, Spain
A he HiPEAC25 Con e ence, held in Ba celona om Janua y 20 o 22, 2025, he Mul iXscale Cen e o Excellence
ook pa in wo high-p o ile wo kshops o ganized by he Eu opean Cen es o Excellence (CoEs). These sessions
no only p esen ed cu ing-edge echnical de elopmen s ac oss CoE p ojec s bu also placed a s ong empha-
sis on inclusion—pa icula ly he isibili y and leade ship o women and o he unde ep esen ed g oups in he
HPC communi y. The wo kshops, i led "F om Pe ascale o Exascale and Beyond: The Cen es o Excellence
Challenge" and "Tackling So wa e Exascale Challenges: The Cen es o Excellence in High Pe o mance Com-
pu ing Pe spec i e", se ed as a pla o m o highligh bo h scien i ic inno a ion and he g owing ole o di e si y
in shaping he u u e o high-pe o mance compu ing. Funded by he Eu oHPC Join Unde aking, hese e en s
ma ked a signi ican s ep owa d os e ing a mo e inclusi e and equi able HPC ecosys em—demons a ing ha
excellence and inclusion mus go hand in hand as we mo e owa d he exascale e a and beyond.
• EESSI ea u ed in he Eu oHPC JU Blog pos : “EESSI Does I ! An Awa d-Winning So wa e S o y”
In Ap il 2025, EESSI ea u ed in he Eu oHPC JU blog pos i led “EESSI Does I ! An Awa d-Winning So wa e
S o y”, highligh ing i s ecogni ion wi h he HPCwi e Reade s’ Choice Awa d o Bes HPC P og amming Tool o
Technology. The blog celeb a ed EESSI’s achie emen in deli e ing a obus , eady- o-use scien i ic so wa e
s ack ha simpli ies deploymen and enhances pe o mance ac oss HPC sys ems. This ecogni ion e lec s
EESSI’s g owing impac wi hin he esea ch communi y by enabling smoo he wo k lows and b oad accessi-
bili y on Eu oHPC in as uc u es.
• Supe compu ing in Eu ope podcas episode - "Mul iXscale - How open-sou ce powe s Eu ope’s HPC commu-
ni y"
NCC Belgium discussed wi h Kenne h and La a om he HPC eam a Ghen Uni e si y in Belgium abou hei
wo k in he Cen e o Excellence and , he goal o which is o build a common s ack o scien i ic so wa e ins al-
la ions o HPC sys ems and beyond, including lap ops, pe sonal wo ks a ions and cloud in as uc u e.
2.2 CASTIEL2 eco-sys em e en s and ac i i ies
Wo hy o pa icula men ion a e he e en s and ac i i ies ha Mul iXscale has pa icipa ed in ela ed o CASTIEL2
(which includes he Na ional Compe ence Cen e s (NCCs) and Cen e o Excellences (CoEs)).
• Aus ian-Slo enian HPC Mee ing 2024 – ASHPC24
The Mul iXscale coo dina o deli e ed a alk and p esen ed a pos e a ASHPC24, held om 11–13 June 2024
a Seeblickho el G undlsee, Aus ia and chai ed he p og am commi ee, ein o cing Mul iXscale’s leade ship in
egional HPC collabo a ion.
• Mul iXscale a he No dic Indus y Days 2024 – Copenhagen, Denma k
Alan O’Cais p esen ed Mul iXscale and EESSI a he No dic Indus y Days 2024 – Supe compu ing: The Ga eway
o AI, held on 2–3 Sep embe 2024 in Copenhagen. The e en was o ganized in collabo a ion wi h Eu oCC
compe ence cen e s om Denma k, No way, Finland, Iceland, and Sweden, along wi h Dansk Indus i. The
p esen a ion highligh ed how Mul iXscale ools suppo indus y-d i en AI and HPC solu ions.
• Exascale Day: Inspi ing Fu u e Scien is s - Oc obe 22, 2024
To celeb a e Exascale Day, he Mul iXscale CoE oge he wi h NCC Slo enia and SLING (Slo enian Na ional Su-
pe compu e Ne wo k) hos ed an ou each e en a he Na ional Ins i u e o Chemis y (NIC). The e en was
aimed a p ima y and seconda y school s uden s, gi ing hem he oppo uni y o explo e he wo ld o supe -
compu ing. A e a sho p esen a ion on he ole o exascale compu ing in science (e.g., clima e modeling,
d ug design, ma e ials simula ion), s uden s isi ed he HPC in as uc u e a NIC and discussed eal-wo ld ap-
plica ions wi h NIC esea che s. The e en aimed o spa k cu iosi y and inspi e he nex gene a ion o scien is s
and enginee s, while also s eng hening he connec ion be ween HPC and educa ion.
Mul iXscale Deli e able 6.3 Page 6
• Success S o y: EESSI o SKA Radio As onomy
We we e also he i s o wo o he CoEs who deli e ed a Success S o y o CASTIEL2 (due o appea in he
CASTIEL2 Success S o y Bookle ol.3). In pa ne ship wi h he SKA p ojec , Mul iXscale success ully demon-
s a ed how EESSI can suppo adio as onomy wo k lows ac oss he globally dis ibu ed SRCne in as uc-
u e. SKA’s challenge lies in analyzing 700 PB o da a annually—a ask equi ing e icien , scalable so wa e
deploymen . So wa e (e.g., AOFlagge , Casaco e, DP3, WSClean) was deployed ac oss egional cen es in he
Ne he lands, Japan, Ko ea, and Canada. This allowed pipeline execu ion on any node wi hou ull con aine
downloads. EESSI’s abili y o op imize o di e en CPU models and educe ne wo k la ency showed up o 30%
pe o mance imp o emen s. While EESSI isn’ a uni e sal solu ion o SKA, key componen s could g ea ly en-
hance i s so wa e deli e y.
• T aining Co ee b eak:
In Ap il 2025, Jean-Noël G ad and Ge asimos Chou dakis ga e a p esen a ion en i led "O ganizing success ul
so wa e communi y wo kshops", in which hey p o ided insigh s in o he o ganiza ion o he ESPResSo Sum-
me schools and p eCICE Wo kshops.
• Code o he mon h:
In Ap il 2025, Rudol Weebe and Jean-Noël G ad (bo h om he Uni e si y o S u ga ) p esen ed he ESPResSo
code a he Code o he mon h se ies, o ganized by CASTIEL2. In o al, he e we e 26 pa icipan s joining on-
line om Bulga ia, I aly, Belgium, Slo enia, he Uni ed S a es, Yemen, Ge many, he Ne he lands, Li huania,
Slo akia, No way, No h Macedonia, and Tu key. The majo i y o he pa icipan s we e pa o Na ional Com-
pe ence Cen e s (NCCs) o Cen e s o Excellence (CoEs). In addi ion, se e al ep esen a i es om he indus y
pa icipa ed in he lec u e.
• Ambassado P og am
The Ambassado p og am o Mul iXscale (in oduced in [3]) began o ha e i s i s e en s in he second epo -
ing pe iod. This concep o Ambassado s has been p esen ed o he CASTIEL2 conso ium du ing he "T aining
Co ee B eak" mee ings o CASTIEL2. I has been e y well ecei ed by he NCCs, and a numbe o NCC ep e-
sen a i es ha e signed up o he p og am.
•EESSI is being adop ed as he main cen al so wa e s ack on MUSICA, he Mul i-Si e Compu e Aus ia
MUSICA, he Mul i-Si e Compu e Aus ia, is he new na ional sys em in Aus ia. EESSI is being adop ed as he
main cen al so wa e s ack he e. By elying on EESSI, he MUSICA suppo eam is able o ocus on si e-speci ic
aspec s and use cases, a he han spending ime on building ou a cen al so wa e s ack om sc a ch.
Aus ia was one o he i s NCCs o ha e an ambassado o EESSI.
2.3 O he e en s and ac i i ies
Mul iXscale also engages in ac i i ies ha go beyond he immedia e scope o he use communi y and he Eu oHPC
ecosys em.
• Mul iXscale a he OpenModel Exploi a ion Wo kshop – Hambu g, Ge many
On 18 Sep embe 2024, Ma ej P ap o nik was in i ed o p esen Mul iXscale CoE a he OpenModel Exploi a ion
Wo kshop in Hambu g. The e en ea u ed in e ac i e demos and success s o ies ela ed o he OpenModel
pla o m, which aims o build a sus ainable open-access in as uc u e o ma e ials modelling. Mul iXscale’s
con ibu ions o in e ope able simula ion wo k lows we e in oduced.
• EESSI Wins HPCwi e Reade s’ Choice Awa d
A he end o he yea 2024 we we e h illed o announce ha EESSI was awa ded he 2024 HPCwi e Reade s’
Choice Awa d o Bes HPC P og amming Tool o Technology. This awa d celeb a es he g oundb eaking wo k
done by he EESSI and Mul iXscale eams, especially in making po able, high-pe o mance scien i ic so wa e
ins alla ions easie ac oss di e se HPC en i onmen s. This ecogni ion ma ks a signi ican miles one o he
p ojec , showcasing i s g owing impac wi hin he global HPC communi y. I also ein o ces he impo ance o
collabo a i e e o s o EESSI in shaping he u u e o accessible and e icien high-pe o mance compu ing.
• Mul iXscale a he 10 h EasyBuild Use Mee ing in Jülich, Ge many
On 27 Ma ch 2025, expe s om he Mul iXscale Cen e o Excellence ga e se e al alks a he 10 h EasyBuild
Use Mee ing in Jülich, Ge many, wi h a s ong ocus on he Eu opean En i onmen o Scien i ic So wa e
Ins alla ions (EESSI). La a Pee e s and Kenne h Hos e (Ghen Uni e si y) in oduced EESSI, ollowed by Alan
O’Cais (Uni e si y o Ba celona, CECAM) p esen ing he Mul iXscale CoE. Ped o San os Ne es (Uni e si y o
Mul iXscale Deli e able 6.3 Page 13
3.2.3 ESPResSo School 2023
The 2023 i e a ion o he summe school ook place on Oc obe 9-13, 2023, unde he name “Simula ing ene gy ma-
e ials wi h ESPResSo and waLBe la”. I was o ganized as a hyb id e en wi h 16 speake s/ u o s (8 ex e nal speake s,
4 ICP speake s/ u o s, 4 ICP o ganize s) and a ac ed 61 pa icipan s: 30 a ended on-si e (15 ex e nal, 15 om he
ICP) and 31 a ended online (2 o hem joined he online hands-on sessions). In o al, 77 people a ended he e en ,
o which 46 we e p esen on-si e.
Mos on-si e pa icipan s came om esea ch ins i u es ha use ESPResSo ou inely in hei scien i ic p ojec s. I is
impo an o know how he so wa e is cu en ly used and wha a e he needs o he communi y. Du ing he social
e en , pa icipan s and school o ganize s had one- o-one in o mal discussions o lea n abou each o he ’s esea ch
opics, discuss he u u e o he so wa e and he possibili y o con ibu ions o i s sou ce code. Du ing he commu-
ni y call, ex e nal people joined he discussion abou he u u e o ESPResSo.
Du ing he school, he e we e mul iple oppo uni ies o on-si e pa icipan s o mee wi h de elope s o he so wa e
and sha e hei needs in mo e de ails. Book o abs ac s was compiled o all con ibu ions and eleased on Zenodo
unde a pe missi e CC-BY 4.0 In e na ional license.
Pa icipan s we e in i ed o ill ou a su ey o m a he end o he school. We ecei ed 40 answe s ou o he 77 egis-
e ed pa icipan s. To be e assess he answe s ega ding he lec u e and u o ial con en , we asked pa icipan s o ell
us abou hei cu en posi ion in academia. 45% o esponden s a e PhD s uden s, while one ou h o esponden s
a e s uden s. Two hi ds o pa icipan s ha e hei home ins i u ion in Eu ope and 22% in Asia. 21% o he pa icipan s
a e emale.
3.2.4 ESPResSo School 2024
The 2024 i e a ion o he Esp esso summe school ook place as an on-si e e en wi h 14 speake s/ u o s (8 ex e nal
speake s, 2 ICP speake s/ u o s, 4 ICP o ganize s) and a ac ed 30 pa icipan s on-si e (21 ex e nal, 9 om he ICP).
In o al, 44 people a ended he e en . Allowing on-si e a endance was pa icula ly impo an o us. Mos on-si e
pa icipan s came om esea ch ins i u es ha use ESPResSo ou inely in hei scien i ic p ojec s (Košo an g oup,
ICP, So bonne Uni e si y, Mul iXscale). I is impo an o know how he so wa e is cu en ly used and wha a e he
needs o he communi y.
Du ing he school, he e we e mul iple oppo uni ies o on-si e pa icipan s o mee wi h de elope s o he so wa e
and sha e hei needs in mo e de ails. This was especially use ul o help kicks a p essu e bounda y condi ions in
ESPResSo (Pablo Blanco, F ede ik Hennig), ake owne ship o s agge ed g ids in pys encils (Alexande Reinaue , F ed-
e ik Hennig) and make p og ess wi h he hyd ogel builde in pyMBE (Pablo Blanco, Somesh Ku aha i. The eedback
om on-si e pa icipan s showed hey enjoyed sha ing hei so wa e needs di ec ly wi h ou eam o de elope s. A
book o abs ac s was compiled o all con ibu ions and eleased on Zenodo unde a pe missi e CC-BY 4.0 In e na-
ional license, like in 2023.
The majo i y o pa icipan s a e a ilia ed o a Eu opean ins i u ion; his is a ibu ed o he on-si e o ma o he
school. P e ious i e a ions o he school we e in hyb id o ma and allowed mo e di e se pa icipa ion. 25 % o pa -
icipan s a e PhD s uden s, 20 % a e s uden s, 20 % a e pos -docs and 16 % a e p o esso s. 16 % o he pa icipan s a e
emale.

Mul iXscale Deli e able 6.3 Page 14
3.3 Mul iXscale CECAM Webina — Suppo ing he De elopmen o Mul iscale Me hods ia
EESSI
On 17 Oc obe 2024, he Mul iXscale Cen e o Excellence, in collabo a ion wi h CECAM, hos ed a hal -day webina
i led "Suppo ing he De elopmen o Mul iscale Me hods ia he Eu opean En i onmen o Scien i ic So wa e In-
s alla ions (EESSI)."
The webina began wi h an In oduc ion o EESSI p esen ed by Kenne h Hos e (Ghen Uni e si y), who o e ed a
comp ehensi e o e iew o he Eu opean En i onmen o Scien i ic So wa e Ins alla ions. He explained EESSI’s
co e objec i es—simpli ying and s anda dizing so wa e deploymen ac oss di e se HPC sys ems—and highligh ed
i s inc easing impo ance wi hin he Eu opean HPC ecosys em.
This was ollowed by a se ies o applica ion-o ien ed p esen a ions ha demons a ed how EESSI suppo s and en-
hances speci ic mul iscale simula ion wo k lows:
• Jean-Noël G ad (Uni e si y o S u ga ) p esen ed on he scalabili y o he ESPResSo simula ion package, show-
casing how i s pe o mance has been signi ican ly imp o ed wi hin he EESSI en i onmen .
• Alan O’Cais (Uni e si y o Ba celona) ga e a ocused alk on Con inuous In eg a ion and Deploymen (CI/CD)
se ices o ESPResSo and pyMBE, illus a ing how au oma ed wo k lows can s eamline de elopmen and en-
su e ep oducibili y.
• Tilen Po isk (Na ional Ins i u e o Chemis y) in oduced new LAMMPS plugins de eloped o ul asound sim-
ula ions using OBMD and ALL, demons a ing how EESSI acili a es he in eg a ion and deploymen o hese
ad anced ools.
• Rod igo Ba olomeu (Jülich Supe compu ing Cen e) discussed he pe o mance po abili y and scalabili y o
simula ion codes h ough he use o Kokkos and ALL amewo ks, emphasizing how EESSI suppo s c oss-
pla o m compa ibili y.
• Ma eo Zan ognini (LEONARDO) showcased he use o waLBe la o simula ing u bulen lows, while Alan
O’Cais p o ided addi ional insigh s in o how EESSI suppo s waLBe la applica ions wi h consis en and e icien
so wa e en i onmen s.
• Céline Me le (Uni e si y o Toulouse) concluded he echnical p og am wi h a p esen a ion on mesoscopic
simula ions o ull supe capaci o sys ems using pys encils wi hin EESSI, unde lining he amewo k’s alue in
suppo ing complex, mul iscale scien i ic esea ch.
This webina exempli ied he Mul iXscale CoE’s commi men o ad ancing mul iscale simula ions in ields o high
indus ial and socie al ele ance—including ba e y echnology, non-in asi e biomedical diagnos ics, and o o c a
design. I also emphasized how EESSI os e s collabo a ion and eusabili y by p o iding a obus , scalable, and po able
so wa e en i onmen . A key objec i e o he session was o aise awa eness and p omo e he adop ion o EESSI
among he wide scien i ic communi y.
The webina eco dings a e a ailable on bo h YouTube and Lhumos.
Mul iXscale Deli e able 6.3 Page 15
3.4 Mul iXscale Hacka hon collabo a ion wi h NCC Slo enia
As pa o he Days o he Slo enian Supe compu e Ne wo k 2024, a Mul iXscale Hacka hon was o ganized on he
a e noon o Decembe 3, 2024 in Ljubljana, Slo enia. The e en was held in collabo a ion wi h NCC Slo enia and
b ough oge he esea che s and ea ly-ca ee scien is s o a hands-on expe ience wi h mul iscale simula ion ech-
niques and high-pe o mance compu ing in as uc u e.
The hacka hon began wi h a 1-hou heo e ical session, which in oduced pa icipan s o he co e concep s behind
mul iscale modeling. The session included an ele a o pi ch o he Mul iXscale Cen e o Excellence, an in oduc ion
o ul asound and open bounda y wa e simula ions, he basics o using he LAMMPS molecula dynamics code (wi h
GPU accele a ion ia Kokkos), and a walk h ough o EESSI.
This pa o he e en was s eamed li e and is a ailable o iewing a he ollowing links:
•h ps:// ideo.a nes.si/en/wa ch/g 5sq8yh30l2
•h ps:// ideo.a nes.si/en/wa ch/6gwl w j2pd
•h ps:// ideo.a nes.si/en/wa ch/g 5sq8yh30l2
A e he lec u e, he pa icipan s engaged in a 2-hou hands-on challenge, whe e hey an a LAMMPS simula ion o a
low pas a sphe e, using Kokkos accele a ion wi hin he EESSI en i onmen , execu ed on he VEGA supe compu e .
This p ac ical session allowed a endees o di ec ly apply wha hey had lea ned, gaining expe ience in se ing up and
unning simula ions in a eal HPC en i onmen .
All a endees came om Slo enian esea ch ins i u ions, p ima ily PhD s uden s and pos doc o al esea che s. A o al
o 16 pa icipan s pa icipa ed in he hacka hon, including 6 emale and 10 male pa icipan s (see Fig. 3).
Figu e 3: A endance in o ma ion ela ed o he gende spli a he Mul iXscale Hacka hon.
The Mul iXscale Hacka hon p o ed o be an e ec i e aining and ou each ac i i y, suppo ing knowledge exchange
and skill de elopmen in high-pe o mance compu ing and mul iscale simula ion. I also s eng hened connec-
ions be ween na ional HPC use s and he b oade Eu opean in as uc u e ini ia i es suppo ed by he Mul iXscale
CoE.
Mul iXscale Deli e able 6.3 Page 16
4 Technical aining e en s
In Mul iXscale, we a e commi ed o aining and ou each h ough bo h online and in-pe son e en s. We gene a e
and p o ide high-quali y aining con en ailo ed o mul iscale modeling, aiming o suppo esea che s, s uden s,
and he b oade scien i ic communi y.
The o iginal ask desc ip ion o Task 6.3 some key a ge a eas o such aining:
• Applica ion-speci ic aining o key CoE applica ions
• Using EESSI as an end-use
• Le e aging EESSI as an applica ion de elope
• Con ibu ing an applica ion o lib a y o EESSI
• Using EESSI co ec ness, pe o mance and scalabili y es s
• P o iding EESSI as a hos ing si e
The i s i em has al eady been ex ensi ely add essed in Sec ion 3and in his Sec ion we ocus on he mo e echnical
opics ha o m he o he bulle poin s.
4.1 In oduc ion o EESSI
The In oduc ion o EESSI aining was de eloped du ing RP1. I is gea ed owa ds using EESSI as an end use , and has
been deli e ed mul iple imes h oughou he cou se o he p ojec . To aise awa eness as b oadly as possible, we in-
cluded his in oduc ion as pa o all scien i ic u o ials we conduc ed. I has se ed as a key esou ce o amilia izing
use s wi h he EESSI in as uc u e and i s p ac ical applica ions ac oss di e se HPC en i onmen s.
4.1.1 E en s whe e "An In oduc ion o EESSI" has been gi en
Below is he lis o some o he e en s whe e EESSI was p esen ed:
• deRSE24 (Ge many, Ma ch 5-7, 2024, "EESSI-going scien i ic so wa e ins alla ions")
• No wegian Bioin o ma ics Days (No way, May 28, 2024, "Making i EESSI o un bioin o ma ics wo k lows")
• 9 h EasyBuild Use Mee ing (Sweden, Ap il 23-25, "Con ibu ing o EESSI")
• Webina pa o he NRIS Talks (online, Oc obe 3, 2024, "Webina on In oduc ion o EESSI")
• Online cou se (o ganize s: Eu oCC AT, SI & VSC & CoE Mul iXscale, Oc obe 4, 2024, "In oduc ion o EESSI –
Eu opean En i onmen o Scien i ic So wa e Ins alla ions")
• Mul iXscale-CECAM webina (online, Oc obe 17, 2024, "Suppo ing he De elopmen o Mul iscale Me hods
ia he Eu opean En i onmen o Scien i ic So wa e Ins alla ions (EESSI)")
• Eu oHPC Use Day 2024 (Ne he lands, Oc obe 22, 2024, "HPC ecosys em ools session")
•EPICURE Webina (online, No embe 15, 2024, "S eaming Op imised Scien i ic So wa e: an In oduc ion o
EESSI)
• Webina pa o NRIS Talks (online, No embe 28, 2024, "How o build on op EESSI using EasyBuild")
• Webina (online, Decembe 13, 2024, "Building So wa e Wi h Ease: an In oduc ion o EasyBuild")
• SURF Ad anced Compu ing Use Day (U ech , Decembe 12, 2024, "Keeping i Simple, Keeping i #EESSI")
• 10 h EasyBuild Use Mee ing in Juelich (Ge many, Ma ch 25-27, 2025, "In oduc ion o he Eu opean En i on-
men o Scien i ic So wa e Ins alla ions (EESSI)")
•CECAM Flagship Wo kshop (Slo enia, Ap il 8-11, 2025, "Scien i ic So wa e made EESSI")
• SURF Resea ch Day 2025 (Ne he lands, May 20, 2025, "The same so wa e on any esea ch in as uc u e, wouldn’
ha be EESSI?")
•EESSI webina se ies (online, May 5 - June 2, 2025)
• Indus y mee ing o ganized by Leno o and NVIDIA (online, June 18, 2025, "In oduc ion o EESSI")
The shee olume o hese e en s hope ully makes i clea he ex en o he e o ha he p ojec has unde aken o
publicise he p ojec ou comes.
Mul iXscale Deli e able 6.3 Page 17
4.2 EESSI webina se ies
Mul iXscale has had a la ge numbe o aining e en s ela ed o EESSI, many o which a e co e ed in his epo .
Du ing ha pe iod EESSI has been unde hea y de elopmen in he con ex o he p ojec .
A he end o RP2 we a e en e ing a new s age whe e EESSI is inc easingly s able. Indeed his is ue o he poin
ha EESSI now o ms pa o he Eu oHPC Fede a ion Pla o m (EFP), and is being used as a base so wa e s ack o
na ional HPC acili ies.
Wi h his in mind, we would also like EESSI o mo e o a mo e s able con igu a ion o aining and ha e chosen o
c ea e a webina se ies ha can be deli e ed on an annual basis (and as equi ed). The se ies is in ended o co e a
ange o di e en use cases:
• end use s o EESSI,
• applica ion de elope s, and,
• si es ha p o ide access o EESSI.
The i s i e a ion o he EESSI webina se ies was held in May/June 2025. All o he webina s we e suppo ed no jus
by he speake s, bu also a eam o people a ailable o answe ques ions in he dedica ed Slack channel assigned o
he e en .
4.2.1 Webina Se ies P og am
Eu oHPC CoE Mul iXscale p o ided EESSI webina se ies, which ook place on i e consecu i e Mondays om May 5
o June 2, 2025. The sessions, en i led
•5 May 2025 — In oduc ion o EESSI
Speake s: Richa d Topuchain (Uni . o Be gen), Helena Vela (Do IT Now);
Mode a o s: Thomas Röbli z & Kenne h Hos e.
Disco e how EESSI is ans o ming he way scien i ic so wa e is deployed and sha ed ac oss HPC sys ems,
cloud pla o ms, and e en lap ops.
In his session, we’ll in oduce he mo i a ion behind EESSI, i s a chi ec u e, and how you can s a using a
ully p e-buil , modula so wa e en i onmen — no ma e whe e you compu e. Whe he you’ e an HPC use ,
sysadmin, o de elope , his webina will show how EESSI can help you sa e ime, imp o e ep oducibili y, and
simpli y you scien i ic wo k lows.
•12 May 2025 — In oduc ion o Ce nVM-FS
Speake s: Valen in Volkl (CERN), Kenne h Hos e.
Ce nVM-FS, he Ce nVM File Sys em a.k.a. CVMFS (h ps://ce n m.ce n.ch/ s), is a ile dis ibu ion se ice ha
is pa icula ly well sui ed o dis ibu e so wa e ins alla ions ac oss a la ge numbe o sys ems wo ld-wide in an
e icien way.
In his webina , we will in oduce you o Ce nVM-FS, show how o access exis ing Ce nVM-FS eposi o ies (like
EESSI, co e some aspec s speci ic o using Ce nVM-FS on HPC sys ems.
I is in ended o people who a e in e es ed in Ce nVM-FS (sys em adminis a o s, suppo eam membe s,
esea che s, e c.), no speci ic p io knowledge o expe ience wi h i is equi ed.
•19 May 2025 — In oduc ion o EasyBuild (incl. EasyBuild 5.0.0)
Speake : Kenne h Hos e.
EasyBuild is an open-sou ce so wa e ins alla ion ool w i en in Py hon ha aims o suppo he a ious ins al-
la ion p ocedu es used by he as collec ion o so wa e packages ha a e ypically ins alled om sou ce code
in an HPC en i onmen .
In his webina , we will in oduce you o EasyBuild, show how o ins all and con igu e i , and p esen basic usage
h ough hands-on demos. We will also co e some new capabili ies ha a e suppo ed by he ecen ly eleased
EasyBuild 5.0.0.
•26 May 2025 — EESSI o CI/CD
Speake : Alan O’Cais (CECAM, Uni . o Ba celona).
Mul iXscale Deli e able 6.3 Page 18
We demons a e how EESSI can be used o suppo a Con inuous In eg a ion (CI) pipeline. We also show his
can be ex ended o include suppo o you building you applica ion using EasyBuild (on op o EESSI). Wi h
his in place, he applica ion is hen a e y good posi ion o be in eg a ed in o EESSI, p o iding a powe ul
mechanism o Con inuous Deploymen (CD).
These CI/CD pipelines allow applica ion owne s o au oma e scien i ic so wa e building and deploymen , e en
whe e he applica ions ha e e y complex dependencies and (po en ially) speci ic ha dwa e equi emen s.
•2 June 2025 — Using EESSI as he base o a sys em s ack
Speake s: Bob D öge & Ped o San os Ne es (Uni . o G oningen).
Despi e being e y open o communi y con ibu ions, EESSI is unlikely o p o ide all he so wa e you wan o
o e on you sys em as an HPC si e. Fo ins ance, i will ne e be able o p o ide p op ie a y so wa e due o
license cons ain s.
This session ocuses on how you can use EESSI as he base o a sys em so wa e s ack, and easily build addi-
ional so wa e on op and add i o you local so wa e sha e. A ecommended se up using Ce nVM-FS will be
shown, bu poin e s o using any o he (sha ed) ilesys em will also be gi en. Finally, we will show how he
EESSI build wo k low (using a build bo and pull eques s) can be adop ed o you local so wa e ins alla ions.
This webina is pa icula ly in ended o sys em adminis a o s o suppo eam membe s ha main ain he
cen al so wa e s ack o he use s o hei HPC in as uc u e, bu i can also be use ul o end use s who wan
o ins all addi ional so wa e.
The sessions included use ul oubleshoo ing ips, ins alla ion guidelines, and a lec u e on using EESSI in con inuous
in eg a ion en i onmen s. Fu he mo e, he sessions add essed a ious ways o con ibu e o EESSI (e.g., by c ea ing
easycon ig iles).
Se e al hands-on demons a ions and in e ac i e sessions u he enhanced he webina expe ience. To acili a e sup-
po and communica ion, a dedica ed Slack channel was c ea ed and all ma e ials, including slides and ideo eco d-
ings, we e made publicly a ailable (a h ps://www.eessi.io/docs/ aining/2025/webina -se ies-2025Q2/).
The Q2 2025 EESSI webina se ies comp ehensi ely suppo ed a ious modes o in ol emen wi h he p ojec . The
i s session in oduced using EESSI as an end-use by demons a ing i s bene i s o ep oducible and consis en
so wa e en i onmen s ac oss sys ems. Applica ion de elope s bene i om sessions like he EasyBuild and Ce nVM-
FS in oduc ions, which illus a e how o le e age EESSI o de elop and dis ibu e so wa e, acili a ing s anda dized
build and deploymen pipelines. The session on CI/CD pipelines illus a es he use o EESSI co ec ness, pe o mance,
and scalabili y es s by showcasing au oma ed alida ion s a egies. Finally, he webina on using EESSI as a base o
a sys em s ack o e s insigh s in o p o iding and ex ending EESSI as a hos ing si e, including bes p ac ices o sys em
adminis a o s ex ending o mi o ing he in as uc u e. Toge he , hese sessions o e a s uc u ed and p ac ical
pa hway o engaging wi h EESSI ac oss mul iple oles.
4.2.2 E en s a is ics
Figu e 4: G aph showing he pa icipan a endance ac oss he EESSI webina sessions.

Mul iXscale Deli e able 6.3 Page 19
Figu e 5: G aph de ailing he a endance in o ma ion o egis e ed pa icipan s in he EESSI webina se ies.
The use and impo ance o he EESSI webina se ies was e lec ed in he o al numbe o egis e ed pa icipan s,
which eached 168. The de ails ega ding he sec o om which he pa icipan s come, hei gende , and demog aphic
in o ma ion a e p esen ed in Fig. 5, while he numbe o pa icipan s pe se ies is illus a ed in Fig. 4.
4.3 O he echnical u o ials and webina s
The p e ious sec ions co e ed he c i ical aspec s o he echnical aining con en . In his sec ion we include some
o he i ems ha a e wo hy o speci ic men ion.
4.3.1 EESSI u o ial a HiPEAC
This u o ial in oduced Ce nVM-FS, a dis ibu ed ead-only ilesys em designed o e icien ly s eam so wa e ins al-
la ions on-demand, and EESSI, a sha ed eposi o y o op imised scien i ic so wa e ins alla ions (no ecipes) ha can
be used on a a ie y o sys ems, ega dless o which la o / e sion o Linux dis ibu ion o p ocesso a chi ec u e is
used, o whe he i ’s a ull size HPC clus e , a cloud en i onmen , o a pe sonal wo ks a ion.
I co e ed ins alling and con igu ing Ce nVM-FS, he usage o EESSI, ins alling so wa e in o and on op o EESSI, and
ad anced opics like GPU suppo and pe o mance uning. The u o ial se ed as a p ecu so o some o he con en
co e ed in he EESSI Webina Se ies (Sec ion 4.2)
4.3.2 "F om ze o o cloud ( he EESSI way)"
In he session "F om ze o o cloud ( he EESSI way)" held a HPCKP25 (Spain, June 3-5, 2025), Alan O’Cais and Helena
Vela p esen ed how EESSI simpli ies and s anda dizes scien i ic so wa e deploymen ac oss high-pe o mance com-
pu ing (HPC), cloud pla o ms, and pe sonal lap ops. They discuss EESSI’s mo i a ions, modula a chi ec u e, and
Mul iXscale Deli e able 6.3 Page 20
how use s can quickly access eady- o-use en i onmen s. The session includes a li e demo o deploying EESSI o a
cloud ins ance and unning on cloud-based Slu m clus e s.
This e en is o pa icula signi icance as he audience was p ima ily SMEs. The con en was gea ed in pa icula
owa ds showing how use ul EESSI can be in a cloud en i onmen . Bo h o hese aspec s a e o pa icula ele ance o
WP7.
4.3.3 EESSI used in an ESiWACE CoE webina on Ex ae + Pa a e
ESiWACE3 CoE and he Na ional Compe ence Cen e o HPC in Aus ia o ganized he aining e en "Ex ae and Pa -
a e : P o iling Wea he and Clima e Applica ions" on Janua y 27, 2025, as pa o he CASTIEL2 T aining Sp in .
The cou se ocused on he BSC pe o mance analysis ools (widely used in POP3 CoE), which a e a se o di e en
ools o suppo de elope s in he e alua ion, uning, and op imiza ion o hei codes.
EESSI p o ided he ins alla ions o such ools, in a collabo a ion be ween Mul iXscale CoE, POP3 CoE and ESiWACE
CoE.
Mul iXscale Deli e able 6.3 Page 21
Re e ences
Ac onyms used
CD Con inuous Deploymen
CI Con inuous In eg a ion
HPC High Pe o mance Compu ing
CECAM Cen e Eu opéen de Calcul A omique e Moléculai e
WP Wo k Package
CoE Cen e o Excellence
JSC Jülich Supe compu ing Cen e
NCC Na ional Compe ence Cen e
SAC Scien i ic Ad iso y Commi ee
RP Repo ing Pe iod
SME small o medium en e p ise
EFP Eu oHPC Fede a ion Pla o m
So wa e men ioned
EESSI Eu opean En i onmen o Scien i ic So wa e Ins alla ions
ESPResSo Ex ensible Simula ion Package o Resea ch on So Ma e Sys ems
waLBe la Widely Applicable La ice Bol zmann sol e om ERLAngen
URLs e e enced
Page ii
h ps://www.mul ixscale.eu ... h ps://www.mul ixscale.eu
h ps://www.mul ixscale.eu/deli e ables ... h ps://www.mul ixscale.eu/deli e ables
In e nal P ojec Managemen Link ... h ps://gi hub.com/mul ixscale/planning/issues/89
[email p o ec ed] ... mail o:[email p o ec ed]
h p://c ea i ecommons.o g/licenses/by/4.0 ... h p://c ea i ecommons.o g/licenses/by/4.0
Page iii
"Modeling & Simula ion o Fluid-S uc u e In e ac ions Ac oss Scales" ... h ps://www.cecam.o g/wo kshop-de ails/
modeling-simula ion-o - luid-s uc u e-in e ac ions-ac oss-scales-1435
Simula ing so ma e ac oss scales ... h ps://www.cecam.o g/wo kshop-de ails/simula ing-so -ma e -ac oss-scales-1324
Page 2
EESSI webina se ies was held in May/June 2025 ... h ps://www.eessi.io/docs/ aining/2025/webina -se ies-2025Q2/
Page 6
Success S o y Bookle ol.3 ... h ps://www.eu occ-access.eu/se ices/documen -lib a y/
MUSICA ... h ps://docs. sc.ac.a /sys ems/musica.h ml
Page 7
"Vangua ds o HPC-AI: Ghen Uni e si y’s La a Pee e s Uses HPC o Fuse Image Analy ics and A " ... h ps://
insidehpc.com/2025/05/ angua ds-o -hpc-ai-ghen -uni e si ys-la a-pee e s-uses-hpc- o- use-image-analy ics-and-a /
SC25 HPC Igni ies Women’s His o y Mon h ... h ps://sc25.supe compu ing.o g/2025/03/women-igni ing-inno a ion-in-hpc/
Code o Though ... h ps://code o hough .buzzsp ou .com/1326658
Page 8
"Modeling & Simula ion o Fluid-S uc u e In e ac ions Ac oss Scales" ... h ps://www.cecam.o g/wo kshop-de ails/
modeling-simula ion-o - luid-s uc u e-in e ac ions-ac oss-scales-1435
Page 9
h ps://plus.cobiss.ne /cobiss/si/en/bib/231451395# ull ... h ps://plus.cobiss.ne /cobiss/si/en/bib/
231451395# ull
Page 11
5-day summe school on so ma e physics .. . h ps://esp essomd.o g/wo dp ess/communi y-and-suppo /
esp esso-summe -school/
CECAM-DE-SMSM ... h ps://www.cecam.o g/cecam-de-smsm
Simula ing so ma e ac oss scales ... h ps://www.cecam.o g/wo kshop-de ails/simula ing-so -ma e -ac oss-scales-1324
Simula ing so ma e ac oss scales ... h ps://www.cecam.o g/wo kshop-de ails/simula ing-so -ma e -ac oss-scales-1324
Mul iXscale Deli e able 6.3 Page 22
Page 13
Simula ing ene gy ma e ials wi h ESPResSo and waLBe la ... h ps://www.cecam.o g/wo kshop-de ails/
1229
Page 14
"Suppo ing he De elopmen o Mul iscale Me hods ia he Eu opean En i onmen o Scien i ic So wa e In-
s alla ions (EESSI)." ... h ps://www.cecam.o g/webina -de ails/mul ixscale-cecam-webina -suppo ing-de elopmen -mul iscale-me hods-eu opean-en i onmen -scien i ic-so wa e-ins alla ions-eessi
YouTube ... h ps://www.you ube.com/wa ch? =Zy7sFSbqSxM&lis =PLeIlwLynDBkXQ28ALXeSmhwFlh9KT LsU
Lhumos ... h ps://lhumos.o g/playe /3/0/67165adbe4b08465348653da/67165a 4e4b08465348653e1?
o de ed= ue
Page 15
h ps:// ideo.a nes.si/en/wa ch/g 5sq8yh30l2 ... h ps:// ideo.a nes.si/en/wa ch/g 5sq8yh30l2
h ps:// ideo.a nes.si/en/wa ch/6gwl w j2pd ... h ps:// ideo.a nes.si/en/wa ch/6gwl w j2pd
h ps:// ideo.a nes.si/en/wa ch/g 5sq8yh30l2 ... h ps:// ideo.a nes.si/en/wa ch/g 5sq8yh30l2
Page 16
EPICURE ... h ps://epicu e-hpc.eu/
Page 17
EFP ... h ps://eu ohpc-ju.eu opa.eu/pa ing-way-eu ohpc- ede a ion-pla o m-2024-12-19_en
base so wa e s ack o na ional HPC acili ies ... h ps://www.mul ixscale.eu/2025/06/13/eessi-is-being-adop ed-as- he-main-cen al-so wa e-s ack-on-musica- he-mul i-si e-compu e -aus ia/
EESSI webina se ies was held in May/June 2025 ... h ps://www.eessi.io/docs/ aining/2025/webina -se ies-2025Q2/
EasyBuild ... h ps://easybuild.io
Page 18
h ps://www.eessi.io/docs/ aining/2025/webina -se ies-2025Q2/ ... h ps://www.eessi.io/docs/ aining/
2025/webina -se ies-2025Q2/
Page 19
HPCKP25 ... h ps://hpckp.o g/annual-mee ing/
Page 20
"Ex ae and Pa a e : P o iling Wea he and Clima e Applica ions" ... h ps://e en s. sc.ac.a /e en /
149/page/419-agenda-con en
CASTIEL2 T aining Sp in ... h ps://eu ohpc-ju.eu opa.eu/eu occ-2-and-cas iel-2-p omo ing-hpc-boos -digi al-skills-jobs-and-indus ial-compe i i eness-eu ope-2023-02-03_
en
BSC pe o mance analysis ools ... h ps:// ools.bsc.es/
POP3 CoE ... h ps://pop-coe.eu/
Ci a ions
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P. S. Ne es, and R. Weebe , “Po able es un o esp esso on eu ohpc sys ems ia eessi,” P ocedia Compu e
Science, ol. 255, pp. 122–129, 2025, p oceedings o he Second Eu oHPC use day. [Online]. A ailable:
h ps://www.sciencedi ec .com/science/a icle/pii/S1877050925006283
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h ps://doi.o g/10.5281/zenodo.10451845