D7.2.1: Interim report on collaboration with communities
Creators: name: Erbacci, Giovanni
Publisher: name: Zenodo
Year: 2011
Subjects: Deliverable
HPC
Research infrastructure
Scientific communities
Application codes

description: Task 7.2 “Application Enabling with communities has the objective of developing relationships with important European applications communities and provide petascaling expertise to ensure that their key applications codes can effectively exploit Tier-0 systems. Deliverable D7.2.1 represents the interim report documenting the collaboration with scientific communities in the first year of activity of PRACE 1IP.<br> The document presents the methodology adopted to identify the scientific communities for cooperation and to select the application codes of interest to these communities. In addition, we include progress reports describing the activity which has been performed for each application.<br> So far, eleven key application codes which are of value to the main scientific communities at European level have been selected for petascaling in Task 7.2. The applications are: GROMACS and DL-POLY for Molecular Dynamics; Quantum Espresso and CP2K, for Material Science; GPAW for Nanoscience; DALTON for Computational Chemistry; EUTERPE for Plasma Physics; the EC-Earth 3 suite for Meteo-climatology, SPECFEM3D for Earth Sciences (earthquakes) and OpenFOAM and Code_Saturne for Engineering and CFD. For these applications, a long term collaboration is envisaged (in terms of 8-10 PM from Task 7.2, in some cases with the support of Task 7.5 and Task 7.6). For these eleven applications a total effort of around 100 PM from Task 7.2 has been allocated. It should be emphasized that the petascaling work involves also the owners of the application codes, or the scientific communities interested in the codes. They are collaborating actively with the PRACE staff, providing their own effort in terms of PM and expertise. For five of these applications (GROMACS, Quantum Espresso, GPAW, EC-Earth 3 and OpenFOAM) the enabling work started in December 2010 and some preliminary results are presented. For the remaining six applications the work started in May 2011 after the selection process and the agreements with the scientific communities on the work plan to follow. The activity with these five application codes is scheduled to conclude around December 2011, so that the petascaled codes will allow the related scientific communities to apply to the subsequent regular access calls for effective use of the PRACE Tier-0 systems. For the other six application codes the collaboration will continue till spring 2012.<br> It is important to emphasise here the ongoing cooperation with the IS-ENES community (the European Network for Earth System Modelling). The long term objective with this community is to enable the six European climate models of interest for the community to run on the PRACE Tier-0 systems. The first step was to define a strong cooperation with the researchers of this community in December 2010 to petascale the EC-Earth 3 suite of codes which includes three main applications that are part of the six European climate models: Oasis, NEMO and IFS. The activity is making good progress and consolidates the strong cooperation between PRACE and IS-ENES.<br> Collaboration with other structured communities will be established and in the next few months agreement for petascaling some other application codes of key interest for these communities will be reached in order to exploit fully the HPC resources on the PRACE Tier-0 systems. For this future work more than 40 PM are still available from Task 7.2.