FROM EGEE TO EGI: THE
ROLE OF VIRTUAL RESEARCH
COMMUNITIES IN MOLECULAR
AND MATERIALS SCIENCE
Antonio Laganà*
Department of Chemistry, University of Perugia, Italy
* With the collaboration of several members of the
COMPCHEM Virtual Organization
SUMMARY
• THE EGEE GRID AND ITS IMPLICATIONS
FOR COMPUTATIONAL MOLECULAR AND
MATERIALS SCIENTISTS
• PAVING THE WAY TO EGI
• FROM SIMBEX (SIMULATOR of MOLECULAR
BEAM EXPERIMENT) TO GEMS (GRID
EMPOWERED MOLECULAR SIMULATOR)
• FROM COMPCHEM TO CMST
• GRIDIFICATION APPROACHES
• FORWARD LOOKING
1 - THE EGEE GRID AND ITS
IMPLICATIONS FOR COMPUTATIONAL MOLECULAR AND
MATERIALS SCIENTISTS
The european seminal implementation of the Grid
and the assemblage of the COMPCHEM Virtual
Organization
The Grid: from dreams to reality
“A computational Grid is a hardware and
software infrastructure that provides
dependable, consistent, pervasive and
inexpensive access to high-end
computational capabilities.”
Ian Foster, The Grid: Blueprint for a future computing
infrastructure (1999)
THE PERVASIVITY OF THE EGEE PRODUCTION GRID
THE EGEE PRODUCTION GRID
• EGEE is a European project aimed at developing a
European grid infrastructure for science with links to US,
Latin America, India and China grids.
• In the first biennium little support (NA4 Activity Application
Identification and Support) was given to chemistry.
• Starting from the second biennium the Beam Molecular
simulator (SIMBEX) was produced and the Chemistry
virtual organization (VO) COMPCHEM admitted as
unfunded
• In the third biennium a prototype version of the Grid
Molecular Simulator GEMS was designed and
implemented
THE COST EFFECTIVENESS OF THE EGEE
PRODUCTION GRID
• On public network
• Out of shelves technology (from
PC to supercomputers)
• Evolutionary approach
• Aggregated local nodes (the
Perugia case)
The initial Beowulf-Mosix “GRID”

front-end + 15 nodes

2 proc. PIII 1.0 Ghz,

2 Gbytes RAM,

NIC Intel e1000
Gigabit Ethernet

Switch 3Com Gigabit
Ethernet 16 port

Hybrid architecture:

Beowulf

MOSIX
The additional cluster “GRID”

front-end + 40 nodes

proc. Intel Xeon Quadcore
X3210 2.13 GHz,

164 GB RAM,

8 Mb Cache L2 MB (2x6) Level
2
RJ 45 Ethernet

Switch 3Com 2 Switch
Gigabit Ethernet 48 ports
FURTHER ESPANSION OF THE
PERUGIA NODE
• Coordination to the original nucleus of scientists from
Computer Science and Chem-dynamics with those of the
local section of INFN, CNR, Chem-electronics, Drugdesign.
• Gathering together the related hardware (different Tier3)
and software tools and experimenting new ones (like
GPUs, workflows and framework)
• Assembling the specific packages of the different
scientific areas
• Widening the service area in grid porting, training and
education.
FURTHER ESPANSION OF
COMPCHEM
• Increase the number of users.
• Increase the number of programs
• Improvement of the support to users (registration, porting,
training (2 schools), …)
• Connection with other VOs and application to INFRA2010 as part of the ROSCOE application.
Astrophysics
Bioinformatics
Computational Chemistry
Geophysics
HP Components
Libraries
Portals
Earth observation
Problem Solving
Cost models
Security
Resource Management
Networks
Applications
ProgramMing tools
Communications
Monitoring
Fiber optics
Middleware
High performance nets
THE DEPENDABILITY OF THE EGEE PRODUCTION GRID
THE CONSISTENCY AND DEPENDABILITY OF THE EGEE
PRODUCTION GRID
• NO ADEQUATE BANDWIDTH and RELIABILITY of public
networks
• NO STANDARD MIDDLEWARE (Glite, Arc, Unicore)
• NO EFFICIENT PARALLELIZATION TOOLS (MPI
Libraries), PORTALS, WORKFLOWS
• NO ESTABLISHED DATA AND PACKAGE MODELS AND
STANDARDS
2 - PAVING THE WAY TO
THE EUROPEAN GRID
INITIATIVE (EGI)
The structuring of a new true pan-european grid
infrastructure
MISSION and STRUCTURE
• Support international research teams
and projects by means of an international infrastructure to share data
(knowledge) and compute resources
• Common infrastructure
– national funding of computing research
infrastructures via NGI platforms
– coordination through EGI.ORG
– steering by User Communities
EGI Basic Elements
• EGI ORGANIZATION
– EGI.ORG a light coordination body
•
•
•
•
Central location + decentralized bodies
Synergy for EU level added value
Coordination activities
Links with external bodies (Consortia, ..)
– NGIs Stakeholders of EGI.ORG
• national funding
• own agenda and tasks
EGI Stakeholders
Research
Research Teams
Teams
Research
Research Institutes
Institutes
NGI2
NGI1
EGI.org
EGI.org
NGIn
…
Resource
Resource Centres
Centres
NGIs
NGIs
NGI User Community Tasks
1.
2.
3.
4.
5.
6.
7.
8.
9.
10.
VO Registration and VO Database
Site Validation Tests
Core VO Service Provision
Help Desk and User Technical Support
Documentation
Help Desk for Application Porting
Case Studies
Consulting
Application Database
Development of Services (Grid Planning)
NGI User Community Tasks
11.
12.
13.
14.
15.
16.
17.
18.
19.
Integration of Domain’s Resources
Feedback
Dissemination
Community-Specific Gateways and Help Desk
Validation of Site Resources/Services
Coordination
User Conference – User Forum Events
Technical Coordination Grid Planning
Regional Coordination
EGI User Community Goals
1. Gathering requirements from the user communities.
2. Carrying out a review process to integrate useful “external”
software
3. Establishing Science Gateways that expose common tools
and services to user communities in the various disciplines
(specialized support center, SSC).
4. Establishing technical collaborations with the large ERI
projects
5. Providing “umbrella” services for collaborating projects, (e.g.
maintenance of repositories, FAQs, wikis, etc.)
6. Maintaining a European Grid Application Database that
allows applications to be “registered”
7. Organising European events such as the User Forum
meetings and topical meetings
8. Providing services for new communities
9. Ensuring high quality documentation and training services.
OTHER ACTORS
• ass. members: EIROs (Cern, Esa, Ebi, ..)
- supplement NGIs for services & resources in specific
sectors
• partners: MiddleWare Consortia (gLite, Unicore, arc)
– provide the OS middleware
EGI Management/Governance
Members
NGI1, NGI2, NGI3, … NGIn
User Forum
Steering
Committee
Associate Members
Non-voting Representatives
e.g. EIROforum member, …
extra-EU NGIs, Chair of UFSC, …
EGI Council
(UFSC)
User
Forum (UF)
EGI.org
EGI Director
Advisory
Committees
e.g.
Middleware
Coordination
Board
(MCB)
UCO
User Coordination
CTO
Middleware
Maintenance
User Community
Services
Middleware
Unit
CAO
Admin & PR
Administration
& PR Unit
COO
Operations
Operations
Unit
FROM EGEE to EGI
• January 20th 2009: Vote for approval of the EGI Blueprint by the
EGI_DS Policy Board; first list of NGIs subscribing to the principles
of EGI.
• March 2nd 2009: Catania Workshop – Approval of AMSTERDAM as
the EGI location; common work plan with EGEE on transition
scenario.
• Spring 2009: Transition team in place with authority to prepare key
tasks and to negotiate with the EU; work on calls for EC funding
• Summer 2009: The core of the EGI project transition team is agreed
and confirmed by the Policy Board; latest date for formal
establishment of EGI including location.
• Autumn 2009: The EGI project proposal is prepared and
submitted for approval to the EC.
• January 1st, 2010: EGI is operational, with all key personnel being
appointed (who may not yet be working for EGI, as e.g. still working
for EGEE III or any other project).
• April 2010: EGI takes over from EGEE-III
3 – FROM SIMBEX (SIMULATOR of
MOLECULAR BEAM EXPERIMENTS)
TO GEMS (GRID EMPOWERED
MOLECULAR SIMULATOR)
A sistematic grid approach to molecular and
materials science simulations
- O. Gervasi, A. Lagana’, SIMBEX: a portal for the a priori
simulation of crossed beam experiments, Future generation
Computer Systems, 20(5), 703-716 (2004)
- O. Gervasi, C. Dittamo, A. Lagana’, A Grid Molecular simulator
for E-science, Lecture Notes in Computer Science 3470,
16-22 (2005).
RESEARCH PROJECTS
CHEMISTRY COMPUTING ON THE
NETWORK
• EU: Data grid, Digital libraries, …… COST
(D23, (1999) METACHEM Metalaboratories
(virtual laboratories made of geographically
dispersed laboratories) for computational
chemistry complex applications; D37 (2004)
GRIDCHEM computational chemistry
applications for Grid computing).
• NATIONAL: analogous project funded on
National resources.
THE CROSSED BEAM EXPERIMENT
MEASURABLES
- Angular and time of flight product distributions
INFORMATION OBTAINABLE
- Primary reaction products
- Reaction mechanisms
- Structure and life time of transient
- Internal energy distribution of products
- Key features of the potential
of Perugia
The concurrent TRAJECTORY kernel
TRAJ
Define quantities of general
use
return
Iterate over initial conditions
the integration of individual
trajectories (ABCTRAJ, etc.)
Collect individual
trajectory results
VIRTUAL MONITORS
FOR COMPUTED
PRODUCT ANGULAR
DISTRIBUTIONS OF
THE VARIOUS
CHANNELS
H+ICl→Cl+HI
H+ICl→H+ICl
H+ICl→HCl+I
KNOWLEDGE FLOW OF GEMS A GRID
EMPOWERED MOLECULAR SIMULATOR
System input
Interaction
Dynamics
Statistics
Virtual Monitors
The INTERACTION module
START
INTERACTION
NO
Is there
a suitable PES?
Are ab initio
calculations
available?
NO
Are ab initio
calculations
feasible?
NO
YES
YES
YES
SUPSIM
Import the
PES routine
DYNAMICS
Are
dynamics
calculations
direct?
NO
FITTING
Take a database
force field
SUPSIM: the concurrent Ab initio approach
SUPSIM
Define the characteristics of
the ab initio calculation, the
coordinates used and the
Variable’s intervals
Iterate over the system
Geometries the call of ab
initio suites of codes
(GAMESS, GAUSSIAN,
MOLPRO, etc)
L. Storchi, F. Tarantelli, A.
Lagana’, Computing
Molecular energy surfaces on
the grid, Lecture Notes in
Computer Science 3980, 675683 (2006).
return
Collect single molecular
geometry energy
AB INITIO CALCULATIONS
• Methods
- wavefunction quantum approaches (MRCI)
- density functional theory (DFT)
• Programs: often standard packages
- ACADEMIC like GAMESS US
- COMMERCIAL like GAUSSIAN
The FITTING Module
YES
YES
FITTING
Are asymptotic values
accurate?
NO
Modify asymptotic values
Return
YES
Are remaining values
inaccurate?
Do ab initio
values have the
proper symmetry?
NO
NO
Modify short and
long range values
Enforce the proper
symmetry
Application using
fitting programs to
generate a PES
routine
The DYNAMICS module
DYNAMICS
Exact
quantum
calculations?
YES
QDYN
Integration of the
exact quantum
dynamics
equations
OBSERVABLES
NO
Approximate
quantum
calcula
tions?
YES
APPRQDYN
Integration of the
approximate or
mixed QM and
QC dynamics
equations
NO
Semiclassical
calculations?
NO
YES
SEMICLASSICAL
Integration of classical equations of
motion and of the
associated classical
action
CLASSICAL
Integration of the
classical
equations of
motion
The QDYN PROCEDURES
QUANTUM
DYNAMICS
Single
Initial
quantum
state?
YES
TD: single initial
state atom
diatom S matrix
elements
for several
energies
OBSERVABLES
NO
Multiple
initial
quantum
states?
YES
TI: single energy
atom diatom
S matrix
elements for all
Initial states
NO
State
specific
(summed over
final states)
Fully averaged
YES
MCTDH: reactive
flux flux correlation function
method
CRP:
cumulative
reaction
probabilities
and Transition
State theory
The concurrent time dependent approach
TD
Define quantities of general
use
return
•Iterate over initial conditions
•the time propagation
•(RWAVEPR, CYLHYP, etc.)
•Collect single initial state
•S matrix element
The concurrent time independent approach
TI
Define quantities of general
use including the integration
bed
Iterate over the reaction coordinate to build the interaction
matrix
Collect coupling matrix elements
Broadcast coupling matrix
Iterate over total energy value
the integration of scattering
equations
return
Collect state to state S matrix
elements
The CLASSICAL PROCEDURES
CLASSICAL
DYNAMICS
Few single
body
problem?
YES
VENUS: sfew
body trajectory
calculations
OBSERVABLES
NO
Few large
body
problem?
YES
DL_POLY,
GROMACS:
various
ensembles
calculations
NO
Many
small
body
problem?
Fully averaged
YES
DLPOLY,
GROMACS:
reduced
degrees of
freedom
Simplified or
approaches
Using history files to rationalize mechanisms
QuickTime™ and a
Cinepak decompressor
are needed to see this picture.
RECROSSING IN
OH + HCl → H2O + Cl
DIATOM-DIATOM
REACTIVE
PROCESSES
4 – FROM THE COMPCHEM VO
TO CMST SSC
•Global approaches prompt collaboration, know
how sharing and service providing
•Collaboration prompts an evaluation of the
commitment (including environmental care and
social fairness) and of the productivity as well as
the establishing of an economy
A. Lagana’, A. Riganelli, O. Gervasi,
On the structuring of the computational chemistry virtual
organization COMPCHEM,
Lecture Notes in Computer Science 3980, 665-674 (2006).
•COMPCHEM VO (http://compchem.unipg.it)
 is a virtual organization coordinated by the Perugia
University running on the EGEE production Grid
from the end of 2004
 80 (system, development, application) users
 8000 CPUs (~8% of the EGEE resources)
 Strong ties with two COST actions: D23
(METACHEM, 1999) and D37 (GRIDCHEM, 2005)
 Tight connections with other VOs of the
Computational Chemistry cluster (eg. GAUSSIAN)
• COMPCHEM ITALIAN Support sites
 se.grid.unipg.it (UNI-Perugia)
 se-01.grid.sissa.it (SISSA-Trieste)
 gridsrm.ts.infn.it (INFN-Trieste)
 prod-se-01.pf.infn.it, prod-se-01.pf.infn.it Italian (INFN-Padova)
 grid-e0-engine04.esrin.esa.int (ESA-esrin)
 cmsdcache.pi.infn.it, gridse.pi.infn.it (INFN-Pisa)
 grids.sns.it (SNS-Pisa)
 aliserv1.ct.infn.it (INFN-Catania)
 egse.frascati.enea.it, egse.cresco.portici.enea.it (GRISU.ENEA.Grid)
 spacin-wn03.dna.unina.it (GRSU-SPACI-Napoli)
 t2-dpm-01.na.infn.it (INFN-Napoli-Atlas)
 grid2.fe.infn.it (INFN-Ferrara)
 grid003.ca.infn.it (INFN-Cagliari)
• COMPCHEM EUROPEAN Support sites
 plethon.grid.ucy.ac.cy (CY-01-Kimon)
 grid05.lal.in2p3.fr, polgrid4.in2p3.fr (GRIF)
 se02.marie.hellasgrid.gr, se01.marie.hellasgrid.gr (GR-06-iasa)
 se01.grid.uoi.gr (GR-10-uoi)
 se01.isabella.grnet.gr (HG-01-grnet)
 se01.afroditi.hellasgrid.gr (HG-03-auth)
 se01.kallisto.hellasgrid.gr (HG-04.cti-ceid)
 se01.ariagni.hellasgrid.gr (HG-05.forth)
 se01.athena.hellasgrid.gr (HG-06.ekt)
 gridstore.cs.tcd.ie (csTCDie)
 se.reef.man.poznan.pl (PSNC)
 se2.egee.cesga.es (CESGA-EGEE)
 se2.ppgrid1.rhu1.ac.uk (UKI-lt2-rhul)
COMPCHEM Applications
• COLUMBUS Vienna (Austria) high-level ab initio molecular electronic structure
calculations.
• GAMESS-US Catania (Italy)
high-level ab initio molecular quantum chemistry
• ABC Perugia (Italy), Budapest (Hungary)
quantum time-independent reactive
dynamics
• RWAVEPR Perugia (Italy), Vitoria (Spain) quantum time-dependent
reactive
dynamics
• MCTDH Barcelona (Spain) multi-configurational time-dependent Hartree method
• FLUSS Barcelona (Spain) Lanczos iterative diagonalisation of the thermal flux operator
• DIFF REAL WAVE Melbourne (Australia) quantum differential cross-section (work
in progress)
• VENUS Vitoria (Spain) classical mechanics cross sections and rate coefficients
• DL_POLY Iraklion (Greece), Perugia (Italy) molecular dynamics simulation of
complex systems
• CHIMERE Perugia (Italy) chemistry and transport eulerian model for air quality
simulations
Millions of cpu hours consumption
From the EGEE Accounting Portal at the Centro de Supercomputación de Galicia
http://www3.egee.cesga.es/gridsite/accounting/CESGA/egee_view.html
The share of COMPCHEM
THE COMPCHEM MEMBERSHIP
1. USER
PASSIVE : Runs other’s programs
ACTIVE: Implements at least one program for personal usage
2. SW PROVIDER (from this level on one can earn credits)
PASSIVE : Implements at least one program for other’s usage
ACTIVE: Management at least one implemented program for
cooperative usage
3. HW PROVIDER
PASSIVE : Confers to the infrastructure at least a small cluster
of processors
ACTIVE: Contributes to deploy and manage the structure
4. MANAGER (STAKEHOLDER): Takes part to the development and the
management of the virtual organization
• Further information at http://compchem.unipg.it
THE PLANNED SSC CMST
1.
2.
3.
4.
5.
6.
GATHER EXISTING VOs IN CHEMISTRY AND MATERIALS
SCIENCE and TECHNOLOGIES (COMPCHEM, GAUSSIAN, ….)
IN A SINGLE SSC (CMST)
ATTRACT NEW RESEARCH GROUPS AND LABORATORIES
ACTIVE IN THE FIELD
REPRESENT THE RELATED VOs at EGI USER FORUM AND
STEERING COMMITTEE LEVEL
INTERACT WITH THE OPERATIONAL AND USER SUPPORT
UNITS OF EGI
DESIGN A DEVELOPMENT STRATEGY FOR THE VOS OF THE
AREA
PROVIDE TRAINING OPPORTUNITIES AND COORDINATE
DISSEMINATION ACTIVITIES
5 – FURTHER GRIDIFICATION
ACTIVITIES
APPLY THE DECOMPOSITION METHODS TO OTHER
PROGRAMS AND USE GRID PORTALS
Lecture notes in Computer Science
recent papers
A Grid Implementation of Direct Semiclassical Calculations of Rate
Coefficients, 5592, 93 (2009), A. Costantini, N. Faginas Lago, A. Lagana, and F.
Huarte
A Grid Implementation of Direct Quantum Calculations of Rate Coefficients,
5592, 104 (2009), A. Costantini, N. Faginas Lago, A. Lagana, and F. Huarte
A Grid Implementation of Chimere: Ozone Production in Central Italy, 5592,
115 (2009), A. Lagana, St. Crocchianti, Alessandro Costantini, Monica Angelucci,
and Marco Vecchiocattivi
Porting of the GROMACS package into the Grid Environment: testing of a new
distribution strategy, 6019, 1-12 (2010), A. Costantini, E. Gutierrez, J. Lope Cacheiro,
A. Rodriguez, O. Gervasi, A. Lagana,
Accurate quantum dynamics on platforms: some effects of long range
interactons on N+N2 reactivitiy, 6019, 41-52(2010), S. Rampino, F. Pirani, A.
Lagana, E. Garcia
THE MCTDH METHOD
•
•
•
Diagonalisation of the thermal flux
operator defined onto a dividing surface to
build a reduced Krylov subspace (iterative
diagonalisation by consecutive application of
the thermal flux operator on a trial wave
function). The outcome is a set of
eigenvalues and eigenstates of the thermal
flux operator.
Time propagation of the thermal flux
eigenstates employing MCTDH.
Calculation of observables: k(T), N(E).
THE FLUSS PROGRAM
calculate the individual
eigenfunctions
TIME INTEGRATION
distribute the individual
propagations
FURTHER GENERALIZATION OF
QUANTUM DYNAMICS
• Broaden the offering of cooperating/competing
packages as web services
• Avoid electron-nuclei separation (BornOppenheimer) and generalize coordinates to Nbody problems
• Introduce easy ways of composing packages
GENERALIZE GEMS
WORKFLOWS
• Inter-job workflow
- Wrap the jobs
- Treat the jobs as objects
- Define composition rules and data links
• Intra-job workflows
- Define tools as for inter-job workflows via
directives to be inserted inside the jobs
PGRADE ABC workflow
 Gridification of ABC
 classical command line interface
 P-GRADE Grid Portal 2.7
Generator: generates input files
with different parameters
Collector: collects all output
files into a single TAR file
Executor: executed as
many times in parallel as
many parameters are
generated by
“Generator”
Performance
Results of ABC
2500
Time (min)
2000
1500
Time grid
Time local
1000
500
0
ABC
Execution of 4 ABC parameter
study jobs for
F + HD
reaction varying jmax and rmax
on
- a local machine (P4 3.4GHz,
1GByte RAM)
- 4 WMS selected clusters that
support COMPCHEM VO
Better speed-up can be achieved
with more parameter jobs
Performance
Results of ABC
300000
Execution
of
500
parameter study jobs for
F + HD
reaction on
250000
Time (min)
200000
ABC
Time grid
Time local
150000
- a local machine (P4 3.4GHz,
1GByte RAM)
- WMSs selected clusters that
support COMPCHEM VO
100000
50000
0
ABC
6 – FORWARD LOOKING
DEVELOP A (COLLABORATIVE)
GRID ECONOMY
• Service oriented approaches
• QoS and QoU
• Credit system and cost of services
CGW’09
Krakow (PL) – October 12-14, 2009
GriF: a collaborative tool for grid
empowering to computational applications
•
GriF is meant to make grid applications black box like and to push the
grid computing to a higher level of transparency (Clouds
Computing) in which better memory usage, reduced cpu and wall
times consumption as well as an optimized distribution of tasks
over the grid are automatically performed.
•
GriF is a collaborative JAVA Service Oriented Architecture (SOA)
framework which provides grid services aimed at exploiting the
articulation of computational applications in sequential, concurrent
or alternative paths on the EGI Grid by adopting SOA and Web
Service standard technologies.
•
GriF improves the grid by providing the VO or SSC users with
standard operational modalities based on friendly user driven
services. Moreover, GriF creates collaborations to add value for all
parties involved also by working with service providers which can
offer applications to users by composing one or more services
without knowing their implementation details.
C. Manuali – A. Laganà
University of Perugia (IT)
CGW’09
Krakow (PL) – October 12-14, 2009
GriF in the Grid scenario
The SOA organization consists essentially of two JAVA servers
and the JAVA client.
The two JAVA servers are YR (Yet a Registry, used to drive the initial discovery of the
Web Services offered by the VO or the SSC) and YP (Yet a Provider, used to hold the
VO or SSC Web Services). The JAVA client is YC (Yet a Consumer, used to interact
with GriF in Wizard/Expert mode).
In the top part of the figure
phases 1 and 2 show the
services discovery and
phases 3-7 show a typical
program execution
performed on the EGI Grid
in which the selected YP
takes care of running the
job on the associated User
Interface (UI).
In the bottom part of the
figure the grid proxy
management and its YC
interactions are shown.
C. Manuali – A. Laganà
University of Perugia (IT)
CGW’09
Krakow (PL) – October 12-14, 2009
GriF @ Work (Wizard Mode)
1 - Using the
“Framework Management”
tab to create the Grid Proxy
and check the GriF Status
2 - Using the “Wizard
Mode” to start the Grid
Job (Parametric Jobs on
EGI for the ABC
program), check the
Job’s Status and
retrieve the results
C. Manuali – A. Laganà
University of Perugia (IT)
AIR POLLUTION SIMULATION
CPM10 Concentration from CHIMERE-aerosols
Gas hydrates (Clathrates): water hydrogen bonded
structures caging gas molecules
• Cl2
• H2 S
• CO2
• CH4
• H2
• etc.
HYDROGEN
HYDRATE
ACKNOWLEDGEMENTS
• CDK group, Dept. Chemistry, Perugia
(Crocchianti, Faginas, Pacifici, Skouteris,
Costantini, Rampino, Manuali)
• HPC group, Dept. Math&Inf, Perugia (Gervasi,
Tasso)
• Qdyn group, COST D37 (Garcia, Huarte,
Lendvay, Nyman, Balint-Kurti, Farantos)
• Other groups of COST D37
• COST-ESF, EU-FP7, MIUR (It), ESA funding
TANKS FOR YOUR ATTENTION