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2.1. User Support achievements

NGI_IT user support activities for new communities during the 14th quarter focused on the following main streams:

  • Support to the BioComputing Group of the Bologna University, Italy: support was provided to create and run a computing model for a use case based on the BLAST application for sequence alignement, 17 million sequences aligned all-against-all.  The production, started in previous PQs, have been compelted during PQ14 and the entire output (more than 4TB) has been retrieved by the community for analysis.
  • Establishing contacts and support activities for the project: during PQ14 support was provided to run the parallel version of the WRF model to the EGI infrastructure, in particular to some NGI_IT sites supporting MPICH. Porting implied the use of the DRIHM applications sw repository. Effort was spent to improve the entire EGI testbed in supporting the community, in particular tests were performed (and GGUS tickets created) in order to fix authentication problems at some tb sites.
  • Support to the COMPCHEM VO: different user support activities have been carried out. In particular application porting and computing model creationfor two packages: CRYSTAL (a quantum chemistry ab initio program, designed primarily for calculations on crystals, slabs and polymersand) and  VENUS (calculates the trajectory for two reactants, atoms or molecules, by integrating the Hamilton equation in cartesian coordinates)
  • Coordination and management activities related to the creation of a VRC out of the existing Chemistry, Molecular & Materials Science and Technology oriented EGI VOs - see section about CMMST Virtual Team
  • Participation to the EGI-XSEDE interoperability project where collaborative use cases activities have been provided in collaboration with COMPCHEM VO
  • The INFN-SPES experiment at the Legnaro National Laboratories, in Legnaro, Padova - the community requested the porting of the FLUKA MonteCarlo application to the NGI_IT resources. Fluka has been ported to the NGI_IT infrastructure and submissions are perfomed through the DIRAC service. A web interface has been created on the IGI portal as frontend for the users.
  • Collabration with the Bologna University, Department of Physics and vi the National Research Coucil, Institute Institute for Microelectronics and Microsystems (CNR-IMM),  to create the distributed computing model for two application: DMRG (self developed quantum simulation) and  QUANTUM_ESPRESSO. The porting for the first application has been completed and a frontend though the IGI-Portal has been created.
  • Created a new collaboration with the National Research Coucil, Institute for Biotechnologies (CNR-ITB) to run an HPC on the CLOUD use case based on the AMBER application (classcal dinamycs molecular simulator) to be run on parrallel virtual machines equipped with high quantity of RAM.
  • Anoter use case provided by the CNR-ITB is based on a mixed cloud/grid computing model based on a molecular surface modelling applications that we are trying to address with the WNODES service
  • KM3NET project: trying ot follow the initial contacts that we had during the presentation of the NGI_IT infrastructure to the community collaboration meeting in Catania ()
  • Organization of a Tutorial Workshop on Grid Application Porting for Computational Chemistry and Astronomy and Astrophysics national communities: it will focus on the porting of real life applications and the creation of computing model on the EGI infrastructure. It will be held in Rome, hosted by Consortium GARR for a selected number of reasearch groups
  • Participation to CVMFS-TF and  CVMFS setup and testing for the the following VO: gridit (national catch all), superb and argo;

2.2. Plans

2.3. Issues and mitigation

Issue Description Mitigation Description