Deploying Multiscale Applications on European e-infrastructures

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1 Deploying Multiscale Applications on European e-infrastructures 04/06/2013 Ilya Saverchenko The MAPPER project receives funding from the EC's Seventh Framework Programme (FP7/ ) under grant agreement n RI

MAPPER project receives funding from the EC's Seventh

2 Outline European e-infrastructure Ecosystem European e-infrastructures MAPPER EGI EUDAT PRACE Tools and services for multiscale computing 2

3 European Computing Infrastructures High Performance Computing High Throughput Computing Tier-0: European Tier-1: National and Topical Computing Centers Tier-2: Regional and Local Computing Centers 3

4 European Computing Infrastructures High Performance Computing High Throughput Computing EGI PRACE Tier-0: European Tier-1: National and Topical Computing Centers Tier-2: Regional and Local Computing Centers 4

5 Multiscale Computing High Performance Computing High Throughput Computing Tier-0: European Tier-1: National and Topical Computing Centers Tier-2: Regional and Local Computing Centers 5

6 Multiscale Computing High Performance Computing High Throughput Computing Tier-0: European M AP Tier-1: National and Topical Computing Centers P E R Tier-2: Regional and Local Computing Centers 6

Tier-1: National and Topical Computing Centers P

7 Nanomaterial use case Simulation manager E.g. GridSpace&QCG Job control & parameters Data movement 1. Cluster CPMD 2. PRACE LAMMPS-AA EUDAT Data Store 3. EGI LAMMPS-CG 4. PRACE LAMMPS-CG 7

8 Resources & Services MAPPER e-infrastructure European e-infrastructures EGI EUDAT PRACE National and regional service providers Shared academic facilities Local resources and services 8

9 MAPPER e-infrastructure High throughput and high performance computing resources Development, testing, debugging Tools and services for multiscale computing Training materials and documentation Support services 9

testing, debugging Tools and services for multiscale

10 EGI European Grid Infrastructure Enables access to computing resources for European researchers from all fields of science, from High Energy Physics to Humanities. Legal entity: EGI.eu Coordinates NGIs National and regional resources ~500 resource providers 10

from High Energy Physics to Humanities. Legal entity: EGI.

11 EUDAT European Data Infrastructure Support a Collaborative Data Infrastructure which will allow researchers to share data within and between communities and enable them to carry out their research effectively. Tools and services for managing Scientific data Big data 11

and between communities and enable them to carry out their research

12 PRACE Partnership for Advanced Computing in Europe Enable and support European scientific discovery and engineering research and development across all disciplines to enhance European competitiveness for the benefit of society. Legal entity: PRACE AISBL 12

and development across all disciplines to enhance European

13 PRACE RI European and national HPC resources 25 members PRACE Tier-0 6 resources PRACE Tier-1 19 resources 13

14 Application & Allocation PRACE Tier-0 preparatory access Tier-0 regular access Tier-1 access (DECI) EGI Virtual Organisations (VOs) Virtual Research Communities (VRCs) National Grid resources 14

15 AAA Authentication Public-key infrastructure Grid security infrastructure Authorization Resources and services Accounting Compute and storage quotas 15

16 Middleware & Services Network services Data management Unified Middleware Distribution QCG Advance reservation and co-allocation Workflow management Federated cloud services 16

17 Training & Support Documentation, user guides and training material Application porting and enabling User support and help desk Workshops and training events 17

18 Summary Communicate your requirements Don t hesitate to ask for support Foster interoperability between services Provide feedback Make friends with your regional and national computing centres Attend community-focused events EGI Community Forum PRACE User Forum 18

Make friends with your regional and national computing centres

19 Ilya Saverchenko

20 Useful Links: MAPPER MAPPER MAPPER tools and services MAPPER documentation and training material documents MAPPER user support 20

eu/web/guest/tools MAPPER documentation and training material

21 Useful Links: EGI EGI EGI membership become_a_user.html join_or_start_a_community.html EGI help desk and user support 21

22 Useful Links: PRACE PRACE RI PRACE Tier-0 preparatory access PRACE Tier-0 regular access PRACE Tier-1 DECI access PRACE help desk and user support 22

Best Practices for the use of e-infrastructures by large-scale research infrastructures

Best Practices for the use of e-infrastructures by large-scale research infrastructures February 24, 2015 http://e-irg.eu Colophon Acknowledgments The editorial board for this guidelines document consisted