Energy-oriented Center of Excellence (EoCoE) Summer School

6 Jun 2022, 09:00 → 8 Jun 2022, 23:00 Europe/Warsaw

Online

Welcome!

You are on the main page of EoCoE School event.
It is a program of Energy Oriented Center of Excellence that offers collaborative online learning opportunities with the theme "toward exascale for energy".
At the crossroads of the energy and digital revolutions, EoCoE develops and applies cutting-edge computational methods in its mission to accelerate the transition to the production, storage and management of clean, decarbonized energy.

As a Participant you will be given a chance to share your experience and learn more about EoCoE technical and industrial work. You will be taught for free and supported online by mentors specialists in each of event challenges.
During the hand-on sessions the use of EoCoE SaaS Portal will give you an access to high performance computing to conduct energy oriented simulations.

At the end of the event each participant will be awarded with certification. A strong participation to the EoCoE school will be rewarded with several awards, including full expenses for three-day trips to Naples to join our project’s members for our final consortium meeting in Naples at the end of June, for up to six participants. Other awards will include books and high-tech devices.

Target audience
Scientists and researchers from academia and industry from across Europe.
Goals
Stimulate interest in EoCoE tools and flagship codes among students by providing an initial training complimented with use cases.
 

EoCoE official website

EoCoE_School_02-TutorialWRF.odp

GCQ SaaS Portal

Monday 6 June

Opening

Welcome session with general introduction to EoCoE project.
Presentation of School agenda.
Q&A
[session-stream] https://us06web.zoom.us/j/83151018024?pwd=UmMreCtpdjc5c256SXBRdHpBQTJsZz09 [/session-stream]

Conveners: Edouard Audit (CEA), Massimo Celino (ENEA)

SaaS portal presentation

GCQ presentation
Q&A
[session-stream] https://us06web.zoom.us/j/83151018024?pwd=UmMreCtpdjc5c256SXBRdHpBQTJsZz09 [/session-stream]

Convener: Dr Paweł Wolniewicz (PSNC)

1 SaaS Portal presentation

EoCoE Saas Portal is a portal to access software solutions for the energy sector. It showcases simple and clear use cases (with a limited number of parameters) that users can run as example jobs with limited resources.

The presentation covers the functionality of the portal that includes:
- Submit jobs using a click-through interface
- Monitor status of the submitted jobs
- Manage input and output data
- Flexible application template with predefined examples
- Integration with SLURM resource management system

Speaker: Paweł Wolniewicz (PSNC)

2 Conclusion

Time for summary, QA, ideas.

Speaker: Paweł Wolniewicz (PSNC)

Setup: Technical environment

SaaS portal individual accounts setup.
Preliminary unified session on the school’s technical environment, so the target audience should already be versed in Linux environment.
Open for participants individual technical issues or doubts before the actual sessions start.
[session-stream] https://us06web.zoom.us/j/83151018024?pwd=UmMreCtpdjc5c256SXBRdHpBQTJsZz09 [/session-stream]

Conveners: Agnieszka Rausch (PSNC), Paweł Wolniewicz (PSNC)

10:45 Break

WEATHER FORECASTING: Large ensemble simulation for short-term weather forecasting using ESIAS-met

The weather simulation is an essential tool for weather forecasting and prediction. The powerful supercomputers now can enhance the simulation capability of weather simulation for large ensembles to provide probabilistic simulation. In EoCoE project, we have create a large ensemble simulation system, ESIAS-met, to enhance the power of the codes of Weather Research and Forecasting to perform probabilistic simulation. However, the atmospheric simulation require a good knowledge of atmospheric science and basic understanding of how weather forecasting be performed by large ensemble. This course will cover basic theory of atmospheric science to handle the science behind the weather model, basic knowledge of WRF for installing this software, and the basic analysis technics to produce meaningful results for comparison.
[session-stream] https://us06web.zoom.us/j/83151018024?pwd=UmMreCtpdjc5c256SXBRdHpBQTJsZz09 [/session-stream]

3 Crash course in weather forecasting

In this course we will have a crash course in weather forecasting for non-professionals. We will learn what is weather forecasting is and how we do the weather forecasting and climate simulation.

Prerequisite: Basic mathematics, basic knowledge to the Earth system.

Outline:
- Introduction
- Very^2 basic theory of fluid dynamics
- Very^2 basic theory of computational fluid dynamics
- Very basic theory of Earth system modelling
- Outlooks

Speaker: Dr Yen-Sen Lu (Forschungszentrum Jülich GmbH, Germany)

4 Tutorial of weather forecasting application(s)

In this tutorial we will learn what ESIAS-met/WRF is, how to install and utilise the weather forecasting prorgram, how to run the system, and how to analyze the results.

Prerequisite: Basic computation concept, basic programming skill.

• Brief introduction to WRF&ESIAS-met: Weather Research and Forecasting
• How do we use WRF to do weather forecasting?
• How do we analysis the data from the simulation outputs?
• Outlooks

Speaker: Dr Yen-Sen Lu (Forschungszentrum Jülich GmbH, Germany)

EoCoE_School_02-TutorialWRF.odp

13:15 Break

5 ESIAS-met hands on with SaaS Portal

In this course we will try to use the SaaS Portal to submit your weather forecasting simulation, and try to do some analysis.

1) Let's do weather simulation with ESIAS-met using SaaS Portal
2) Hands on the SaaS portal and create your first weather forecasting/hindcasting.

Speaker: Dr Yen-Sen Lu (Forschungszentrum Jülich GmbH, Germany)

6 Conclusion for weather forecasting

Summary,
QA,
Ideas

Speaker: Dr Yen-Sen Lu (Forschungszentrum Jülich GmbH, Germany)

Tuesday 7 June

MATERIALS: Use of dftb+ and transport calculations

[session-stream] https://us06web.zoom.us/j/86418557171?pwd=SlVVa2xHbEJwdGpUbmpWYnpuaXMrdz09 [/session-stream]

DFTB+ tutorial

7 Introduction

Introduction to the density functional tight-binding approach (DFTB) and transport calculations

Speaker: Dr Alessandro Pecchia (Consiglio Nazionale delle Ricerche)

An introduction to dftb+

8 Graphene electronic bands

Calculation of the electronic bands in graphene

Speaker: Alessandro Pecchia (Consiglio Nazionale delle Ricerche)

9 Graphene nanoribbons

Graphene nanoribbons with a vacancy defect

Speaker: Alessandro Pecchia (Consiglio Nazionale delle Ricerche)

10:45 Break

10 Setup and transport

Setup and transport calculations

Speaker: Alessandro Pecchia (Consiglio Nazionale delle Ricerche)

11 Si/aSi/Si

Another example: Si/aSi/Si interface

Speaker: Alessandro Pecchia (Consiglio Nazionale delle Ricerche)

12 Conclusion

Time for summary, QA, ideas.

Speaker: Alessandro Pecchia (Consiglio Nazionale delle Ricerche)

Wednesday 8 June

MATHEMATICAL SOFTWARE: PSCToolkit Session

[session-stream] https://us06web.zoom.us/j/88431916259?pwd=UzlkOTdwdVdpTHhSeTNVb2ViRFZuQT09 [/session-stream]

Conveners: Dr D'Ambra Pasqua (IAC-CNR), Fabio Durastante (Università di Pisa), Salvatore Filippone (University Rome Tor Vergata)

13 PSBLAS: A Toolkit for Parallel Sparse Computations

We provide a description of the architecture of PSBLAS and its usage in the solution of large and sparse linear systems arising in applications. We will describe the data setup process, the available facilities, and the plugin architecture that enables us to support multiple extensions, e.g. running on NVIDIA GPUs.

Speaker: Salvatore Filippone (University Rome Tor Vergata)

14 AMG4PSBLAS: a Package of Parallel AMG Preconditioners for Scalable Linear Solvers

Current applications in Computational and Data Science often require the solution of large and sparse linear systems. The notion of "large" is qualitative and there is a clear tendency to increase it; currently, it is not unusual the need to solve systems with millions or even billions of unknowns. The methods of choice to efficiently solve the above systems on high-end massively parallel computers are the Krylov methods, whose convergence and scalability properties are related to the choice of suitable preconditioning techniques.
In this tutorial, we will present AMG4PSBLAS (Algebraic MultiGrid Preconditioners for PSBLAS) which provides efficient and easy-to-use preconditioners in the context of the PSBLAS (Parallel Sparse Basic Linear Algebra Subprograms) computational framework.
The package, whose features are constantly updated within the EoCoE project, includes multilevel cycles and smoothers widely used in multigrid methods. A purely algebraic approach is applied to generate coarse-level corrections so that no geometric background is needed concerning the matrix to be preconditioned. We will present the main features of the package and example of usage of the main APIs needed to setup the preconditioner, together with its application within the Krylov solvers available from PSBLAS. Some results on test cases relative to the EoCoE application areas highlight how the PSBLAS/AMG4PSBLAS software framework can be used to obtain highly scalable linear solvers.

Speaker: Dr D'Ambra Pasqua (IAC-CNR)

11:00 Break

15 PSCToolkit: hands-on

Speaker: Dr Fabio Durastante (Università di Pisa)

Closing

Awards, Summary

[session-stream] https://us06web.zoom.us/j/88431916259?pwd=UzlkOTdwdVdpTHhSeTNVb2ViRFZuQT09 [/session-stream]