Project Repository

Progress and other reports generated as project deliverables are available for view and download here

D1.1

Friday, 31 May, 2019

First report on software architecture and implementation planning

D1.1 First report on software architecture and implementation plan MaX 824143.pdf

D1.2

Friday, 31 May, 2019

First release of MaX software: report on performed and planned refactoring

D1.3

Sunday, 31 May, 2020

Second report on software architecture and implementation planning

D1.4

Monday, 30 November, 2020

Second release of MaX software: report on first common APIs, data structures and domain-specific libraries

D1.5

Tuesday, 30 November, 2021

Third release of MaX software: final report on restructuring, exascale readiness and inter-code libraries

D2.1

Saturday, 30 November, 2019

First release of MaX software: report on the performance portability

D2.2

Monday, 30 November, 2020

Second release of MaX software: report on performance achieved

D2.3

Tuesday, 30 November, 2021

Third release of MaX software: report on the release of documentation of the performance optimised parts

D3.1

Friday, 31 May, 2019

Report on identified algorithmic advances, and their software development plan

D3.1 Report on identified algorithmic advances, and their software development plan MaX 824143.pdf

D3.2

Saturday, 30 November, 2019

First release of MaX software: report on the identified actions, update of the software development plan, and software release

D3.3

Monday, 30 November, 2020

Second release of MaX software: report on the evolution actions taken in each of the codes, and software release

D3.4

Tuesday, 30 November, 2021

Third release of MaX software: report on the evolution actions taken in each of the codes

D4.1

Friday, 31 May, 2019

Reviewed co-design methodology, and detailed list of actions for the co-design cycle

D4.1 Reviewed co-design methodology, and detailed list of actions for the co-design cycle MaX 824143.pdf

D4.2

Saturday, 31 August, 2019

First report on code profiling and bottleneck identification, structured plan of forward activities

D4.2 First report on code profiling and bottleneck identification, structured plan of forward activities MaX 824143.pdf

D4.3

Sunday, 31 May, 2020

Second report on code profiling and bottleneck identification

D4.4

Sunday, 31 May, 2020

First report on co-design actions

D4.5

Tuesday, 30 November, 2021

Final report on code profiling and bottleneck identification

D4.6

Tuesday, 30 November, 2021

Final report on co-design activities

D5.1

Friday, 31 May, 2019

Data management plan for this project and templates for data management plans for projects using the Materials Cloud (DMP)

D5.1 Data Management Plan (DMP) for MaX Centre of Excellence MaX 824143.pdf

D5.2

Sunday, 31 May, 2020

First report on verification and validation of codes and on the data analytics pilots

D5.3

Sunday, 31 May, 2020

First report on workflows for the various flagship codes and on the capability of running them on pre-exascale machines

D5.4

Tuesday, 30 November, 2021

Final report on turn-key solutions for the various flagship codes

D5.5

Tuesday, 30 November, 2021

Report on the scalability of the Materials Cloud Jupyter section; code coverage and adoption of Quantum Mobile

D5.6

Tuesday, 30 November, 2021

Report on the data stewardship policies and on the scalability and features of the Materials Cloud Archive

D5.7

Tuesday, 30 November, 2021

Final report on results verification and validation of codes and on the data analytics pilots

D6.1

Sunday, 31 May, 2020

Report on the deployment of the MaX Demonstrators and feedback to WP1-5

D6.2

Sunday, 31 May, 2020

Definition and planning of new MaX Demonstrators

D6.3

Tuesday, 30 November, 2021

Report on the simulations performed and scientific outlook

D6.4

Tuesday, 30 November, 2021

Report on the general challenges still to overcome to bridge the gap between pre-exascale and exascale simulations

D7.1

Saturday, 30 November, 2019

First report on the activity of High-Level Support services (first year)

D7.2

Monday, 30 November, 2020

Second report on the activity of the High-Level Support services (second year)

D7.3

Tuesday, 30 November, 2021

Third (final) report on the activity of the High-Level Support services (third year)

D8.1

Friday, 31 May, 2019

Training and Education Programme

D8.1 Training and Education Programme MaX 824143.pdf

D8.2

Sunday, 31 May, 2020

First report on Training and Education

D8.3

Tuesday, 30 November, 2021

Second report on Training and Education

D9.1

Friday, 31 May, 2019

MaX Communication & dissemination Strategy & Stakeholder Engagement Plan

D9.1 MaX Communication and Dissemination Strategy and Stakeholder Engagement Plan MaX 824143.pdf

D9.2

Sunday, 31 May, 2020

Impact Assessment Report, mid-term version

D9.3

Monday, 30 November, 2020

MaX Communication & dissemination Strategy & Stakeholder Engagement Plan, Final version

D9.4

Tuesday, 30 November, 2021

Impact Assessment Report, final version

D10.1

Friday, 31 May, 2019

First report on CoE governing bodies, KPI, and infrastructure setting up

D10.1 First report on CoE governing bodies, KPI, and infrastructure setting up MaX 824143.pdf

D10.2

Saturday, 30 November, 2019

Draft business plan: preliminary exploitation strategy

D10.3

Sunday, 31 May, 2020

First report on MaX in the European, national, international HPC ecosystem

D10.4

Sunday, 31 May, 2020

Final business plan: exploitation and sustainability; uptake

D10.5

Tuesday, 30 November, 2021

Final report on CoE governing bodies activity

D10.6

Tuesday, 30 November, 2021

Final report on MaX in the European, national, international HPC ecosystems

D1.1

Sunday, 28 February, 2016

Definition of a software-development plan

Read

D1.2

Wednesday, 31 August, 2016

First release (R1) of MaX codes

Read

D1.3

Wednesday, 31 August, 2016

Socket-interfaced demonstration of code PALENQUE

Read

D1.4

Thursday, 30 November, 2017

Second release (R2) of MaX codes

Read

D1.5

Saturday, 30 June, 2018

Third and final release (R3) of MaX codes

Read

D1.6

Wednesday, 28 February, 2018

Release of the i-PI PALENQUE code

Read

D2.1

Tuesday, 28 February, 2017

First Report on specific community needs and challenges

Read

D2.2

Friday, 31 August, 2018

Final Report on specific community needs and challenges

Read

D2.3

Thursday, 31 August, 2017

Release of a computational protocol for tribochemistry

Read

D2.4

Thursday, 31 August, 2017

Release of a computational protocol for molten salts properties

Read

D2.5

Thursday, 31 August, 2017

Release of a computational protocol to simulate optical colour properties

Read

D2.6

Wednesday, 31 August, 2016

Release of a turnkey solution to automatically transform crystallographic database structures

Read

D3.1

Sunday, 28 February, 2016

Data management plan

Read

D3.2

Wednesday, 31 August, 2016

Development of the AiiDA plugins for the flagship code

Read

D3.3

Tuesday, 28 February, 2017

Release of a documented protocol for data sharing

Read

D3.4

Tuesday, 28 February, 2017

Updated data management plan

Report

D3.5

Thursday, 31 August, 2017

Release of a web open repository of data, workflows and turnkey solutions

Report

D3.6

Wednesday, 28 February, 2018

Repository advertisement and dissemination of results

Report

D4.1

Wednesday, 31 August, 2016

Identification of problems and strategies in material science towards exascale

Report

D4.2

Tuesday, 28 February, 2017

Implementation of new paradigms and common strategies: Proof of concept

Report

D4.3

Friday, 31 August, 2018

Material science at exascale: software implementation

Report

D5.1

Sunday, 28 February, 2016

Setup of a second CoE website dedicated to industrial users

Report

D5.2

Wednesday, 31 August, 2016

Setup of the CoE services, including a dedicated space in the CoE portal

Report

D5.3

Tuesday, 28 February, 2017

Report on the industrial outreach activities and CoE services, months 1-15

Report

D5.4

Friday, 31 August, 2018

Report on the industrial outreach activities and CoE services, months 16-30

Report

D6.1

Sunday, 28 February, 2016

Development of the Education and Training Programme and publication on the webpage

Report

D6.2

Wednesday, 31 August, 2016

Webpage with education resources from MaX

Report

D6.3

Tuesday, 28 February, 2017

First report on training courses/workshops

Report

D6.4

Friday, 31 August, 2018

Second report on training courses/workshops

Report

D7.1

Thursday, 31 December, 2015

Project website and graphical identity material

Report

D7.2

Sunday, 28 February, 2016

First report on setup of CoE governing bodies, infrastructure, KPI defs, IPR implementation

Report

D7.3

Wednesday, 31 August, 2016

First report on IAB operation and KP

Report

D7.4

Wednesday, 31 August, 2016

Draft business plan: preliminary exploitation strategy and market report

Report

D7.5

Tuesday, 28 February, 2017

First report on dissemination

Report

D7.6

Wednesday, 28 February, 2018

Second report on IAB operation

Report

D7.7

Thursday, 31 August, 2017

Second report on CoE infrastructure and service

Report

D7.8

Wednesday, 28 February, 2018

Business plan assessment and revision

Report

D7.9

Friday, 31 August, 2018

Second report on dissemination and final MaX workshop

Report