Deliverables
All deliverables are linked to, and available through, our Zenodo community. Via the links you can find citation information.
See https://zenodo.org/communities/multixscale for the full set of MultiXscale publications.
WP1 - Developing a Central Platform for Scientific Software on Emerging Exascale Technologies
- D1.1 - Report on shared software stack prototype
Intermediate report on development of a stable, shared software stack.
- D1.2 - Plan for the design of a portable test suite
Plan on how to design a test suite for the shared software stack that can run on a wide range of systems.
- D1.3 - Report on stable shared software stack
Final report on the development of a stable, shared software stack
- D1.4 - Support for emerging system architectures
Report on support in the shared software stack for emerging system architectures.
- D1.5 - Portable test suite for shared software stack
Final report on the portable test suite for the shared software stack.
WP2 - Preparation and optimization of Community Software Codes Toward the Exascale-Readiness
- D2.1 - Report on the current scalability of ESPResSo and the planned work to extend it
Report on the current scalability of ESPResSo and the planned work to extend it.
- D2.2 - Exascale pathways for performance portable electrostatics solvers
Report on exascale pathways for performance portable electrostatics solvers and further plans.
- D2.3 - Software release of lattice-gas simulation modules for PyStencils/waLBerla
Software release of lattice-gas simulation modules for PyStencils/waLBerla, including user guide.
- D2.4 - Dynamic sub-grid models extension
Software release of the dynamic sub-grid models extension to LB open source code capable of accommodating complex geometries.
- D2.5 - Technical report on performance-portable electrostatics
Review of the development of performance-portable electrostatic solvers developed as a community library.
- D2.6 - OBMD library for LAMMPS
OBMD library with plugin for LAMMPS (including user guide, programmer’s manual, architectural document).
- D2.7 - ESPResSo: Progress towards Exascale
Progress report on the scalability of ESPResSo with a focus on short-range interactions, electrostatics and hydrodynamics using Lattice-Boltzmann.
WP3 - Development and efficient implementation of interfaces for coupling different length scales
- D3.1 - Coupling the FV and LBM codes
The interface code and scripts to couple the FV and LBM codes for the dynamic solver including technical documentation.
- D3.2 - Lattice-gas model with on-the-fly molecular simulations
Technical report on molecular simulations and lattice-gas model.
- D3.3 - Coupling ESPResSo with waLBerla
Software release of ESPResSo with waLBerla support for Lattice-Boltzmann.
WP4 - Multiscale/physics workflows for sustainable industrial design: aeorodynamics, materials and biomedical devices
WP5 - Building, Supporting and Maintaining a Central Shared Stack of Optimized Scientific Software Installations
- D5.1 - Community contribution policy and GitHub App
Contribution policy for accepting community contributions to shared software stack and a GitHub App to support this.
- D5.2 - Support portal
Report on alternatives that were considered for support portal and motivated selected solution + working support portal and accompanying documentation.
- D5.3 - Report on testing provided software
Report on the monitoring and testing of the central shared software stack across the range of supported platforms. Dashboard to present current support status of central software stack on current system architectures.
WP6 - Community Outreach, Education, and Training
- D6.1 - Guidelines for Community Outreach, Education, and Training
Template and formatting guidelines for the training content to be provided. Organisational guidelines for CoE events (online, in-person train-the-trainers event, hybrid events with Ambassador support). Documentation of available technical infrastructure.
- D6.2 - Training Activity Technical Support Infrastructure
Report outlining the technical infrastructure created, maintained and used to support the training activities of the project.
- D6.3 - Interim report on Community outreach, Education, and Training
Interim report covering progress in Task 6.3 relating to training material creation and delivery.
WP7 - Dissemination, Exploitation & Communication
- D7.1 - Dissemination and Communication Plan
Description of the communication and dissemination strategy, the activities to be undertaken to achieve this, and KPIs to monitor progress. Dissemination results will be reported in the periodic and final reports.
- D7.2 - Intermediate report on Dissemination Communication and Exploitation
Report covering all tasks performed during the execution of WP7.
WP8 - Management and Coordination
- D8.2 - Project data management plan
Data management Plan (DMP) to outline how research data will be collected, generated and handled during and after the project.
- D8.3 - Project collaboration plan
Plan of how MultiXscale will collaborate internally, with the wider EuroHPC ecosystem as well as with associated partners and supporters, with defined common objectives and activities.
- D8.5 - Project Data Management Plan - final
Data management Plan (DMP) to outline how research data will be collected, generated and handled during and after the project.
WP1
- D1.1 - Report on shared software stack prototype
Intermediate report on development of a stable, shared software stack.
- D1.2 - Plan for the design of a portable test suite
Plan on how to design a test suite for the shared software stack that can run on a wide range of systems.
- D1.3 - Report on stable shared software stack
Final report on the development of a stable, shared software stack
- D1.4 - Support for emerging system architectures
Report on support in the shared software stack for emerging system architectures.
- D1.5 - Portable test suite for shared software stack
Final report on the portable test suite for the shared software stack.
WP2
- D2.1 - Report on the current scalability of ESPResSo and the planned work to extend it
Report on the current scalability of ESPResSo and the planned work to extend it.
- D2.2 - Exascale pathways for performance portable electrostatics solvers
Report on exascale pathways for performance portable electrostatics solvers and further plans.
- D2.3 - Software release of lattice-gas simulation modules for PyStencils/waLBerla
Software release of lattice-gas simulation modules for PyStencils/waLBerla, including user guide.
- D2.4 - Dynamic sub-grid models extension
Software release of the dynamic sub-grid models extension to LB open source code capable of accommodating complex geometries.
- D2.5 - Technical report on performance-portable electrostatics
Review of the development of performance-portable electrostatic solvers developed as a community library.
- D2.6 - OBMD library for LAMMPS
OBMD library with plugin for LAMMPS (including user guide, programmer’s manual, architectural document).
- D2.7 - ESPResSo: Progress towards Exascale
Progress report on the scalability of ESPResSo with a focus on short-range interactions, electrostatics and hydrodynamics using Lattice-Boltzmann.
WP3
- D3.1 - Coupling the FV and LBM codes
The interface code and scripts to couple the FV and LBM codes for the dynamic solver including technical documentation.
- D3.2 - Lattice-gas model with on-the-fly molecular simulations
Technical report on molecular simulations and lattice-gas model.
- D3.3 - Coupling ESPResSo with waLBerla
Software release of ESPResSo with waLBerla support for Lattice-Boltzmann.
WP5
- D5.1 - Community contribution policy and GitHub App
Contribution policy for accepting community contributions to shared software stack and a GitHub App to support this.
- D5.2 - Support portal
Report on alternatives that were considered for support portal and motivated selected solution + working support portal and accompanying documentation.
- D5.3 - Report on testing provided software
Report on the monitoring and testing of the central shared software stack across the range of supported platforms. Dashboard to present current support status of central software stack on current system architectures.
WP6
- D6.1 - Guidelines for Community Outreach, Education, and Training
Template and formatting guidelines for the training content to be provided. Organisational guidelines for CoE events (online, in-person train-the-trainers event, hybrid events with Ambassador support). Documentation of available technical infrastructure.
- D6.2 - Training Activity Technical Support Infrastructure
Report outlining the technical infrastructure created, maintained and used to support the training activities of the project.
- D6.3 - Interim report on Community outreach, Education, and Training
Interim report covering progress in Task 6.3 relating to training material creation and delivery.
WP7
- D7.1 - Dissemination and Communication Plan
Description of the communication and dissemination strategy, the activities to be undertaken to achieve this, and KPIs to monitor progress. Dissemination results will be reported in the periodic and final reports.
- D7.2 - Intermediate report on Dissemination Communication and Exploitation
Report covering all tasks performed during the execution of WP7.
WP8
- D8.2 - Project data management plan
Data management Plan (DMP) to outline how research data will be collected, generated and handled during and after the project.
- D8.3 - Project collaboration plan
Plan of how MultiXscale will collaborate internally, with the wider EuroHPC ecosystem as well as with associated partners and supporters, with defined common objectives and activities.
- D8.5 - Project Data Management Plan - final
Data management Plan (DMP) to outline how research data will be collected, generated and handled during and after the project.