Software portfolio

1. EGI VT Applications IGI – FUS : Training and User Support A consolidated Work-plan for user support IGI web solutions to simplify access to Grid resources IGI – FUS is fully committed on seeking, identifying, and closely support new communities, supporting them on the creation of the computing model and the deployment of the applications. Continuously dialoguing with scientific communities, relevant institutions and participating on several EGI Virtual Teams, IGI FUS is first-line on user requirements gathering and endorsement. FUS is promoting IGI adoption and development of web based technologies lowering access barrier to grid and cloud infrastructures • CNR(National Research Council) • ENEA (National agency for new technologies, Energy and sustainable economic development) • INGV (National institute of Geophysics and Volcanology) • INFN non-LHC experiments (SPES, LHCf, GERDA, ICARUS) • National ESFRI contacts : ELIXIR, LIFEWATCH, BIOVEL, EPOS, EMSO • COMPCHEM VO • ELETTRA Synchrotron • Istituto Mario Negri • Istituto Superiore Mario Boella • ESFRI Contact List • MPI within EGI • Assessing the adoption of Federated Identity Providers within the EGI Community • EGI presence at EGU General Assembly ‘12 • Digital Cultural Heritage DCH-EGI Integration • Inter NGI Usage Report • VRC for Sound and Music Grid Computing • Website content • Strong user identification by means of IdP’s belonging to an accredited identity federation (IDEM), overcoming usage of X509 certificates • Mapping to VOMS and MyProxy mechanisms Contacts portfolio IDEM Federation Train new users and site admins to effectively use and operate the e-Infrastructure Engage discussions and disseminate work done in order to attract new communities FUS is the IGI unit fostering grid adoption by new communities through provision of expertise and facilitating tools. Contact : igi-user-support@lists.italiangrid.it Multi Middleware Job Submission interface through WS-Pgrade /JSAGA WAYF Grid Infrastructure management Dedicated facilities for management/sharing/movement of remote files Web portal VOMS Clouds (WNoDeS) Cloud bridge Customized user tracking/accounting AuthN+ Registration+Settings MyProxy Interface with WNoDeS for cloud resources provisioning GRID Job Submission Headline Applications Data management CA online bridge Ancient Sound/Timbre Reconstruction Application Data Mover GriF is a SOA Grid Framework initially developed by CompChem to run on the EGI Grid multi-purpose scientific applications The ASTRA projects aims to reconstruct the sound or timbre of ancient instruments (not existing anymore) using archaeological data as fragments from excavations, written descriptions, pictures, etc. The technique used is the Physical Modeling Synthesis, a complex digital audio rendering technique which allows modeling the time-domain physics of the instrument. Accounting CA online Grid Accounting System  GriF runs the jobs on the associated User Interface (UI), manages their status and notifies the users upon completion. It supports the management of large result files empowering Single Parameter Study and basic Workflow job approaches. Simulating drugs effects on cell cycle The application written in Matlab simulates the effects that drugs have on cell cycle after cancer treatments. It is a flexible cell cycle simulator that achieves a full reconstruction in silico of the cell cycle progression under a variety of treatment effects. The experimental data are measured by flow cytometry and time-lapse live cell imaging in time-course experiments in vitro with untreated and treated cell populations. In order to simulate this behaviour, the application runs a non-linear fitting between simulated data and experimental data. The procedure was repeated several times with a random start condition to achieve the global minimum. The figure shows the best fit scenario for two doses of anti-tumoral drug. This figure shows the number of cells in each generation. The generation 0 represents the cells present at the start of experiment. In the figure the generation wise distribution of untreated cells (CTRL) is compared with two different treatment effects. Software portfolio According with user requirements, Grid Middleware is extended with libraries and applications in use by several scientific domains (Mathematics, Matters and High Energy Physics, Chemistry, Computer Science, Engineering…). MD studies of Methane Hydrates formation with surfactants Gas hydrates are ice-like solid inclusion compounds which result from the trapping of gas molecules within a lattice-like cage of water molecules. Many gases have molecular sizes suited to form hydrates like methane (CH4). Actually, the cage of water molecules (host) is stabilized by the trapped gas molecule (guest) and, without such contribution, the lattice structure of hydrate clathrates would collapse into a conventional ice crystal structure or liquid water. At standard conditions of pressure and temperature, one volume of methane hydrate can store up to 164 volumes of gaseous methane, allowing its safer and less expensive storage and transportation. Over this considerations, surfactants are well known as cleaning agents and Sodium-Dodecyl-Sulphate (SDS) has been used in particular as a model of biological systems like micellar aggregate. Recently it has been discovered that they play a crucial role in the formation of gas hydrates Octave... Espresso, gromacs,neuron, povray, starccm+, Openfoam, Fluent... Cross domain libraries metis, mumps, petsc, slepc... blacks, blas, lapack, scalapack, gsl, fftw. Image of a real Clathrate Hydrate over a rock extracted from the deep sea (left hand side) and folding of the SDS-CH4 in water obtained running a MD simulation using the NPT ensemble (right hand side).