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<!--''Note: just report activities relevant to this Quarter.''-->
<!--''Note: just report activities relevant to this Quarter.''-->


=== 2.1. User Support achievements ===
=== 2.1. User Support achievements ===


NGI_IT&nbsp;user support activities for new communities during the 14th quarter focused on the following main streams:  
NGI_IT&nbsp;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.&nbsp; 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.  
*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.&nbsp; The production, started in previous PQs, have been completed during PQ14 and the entire output (more than 4TB) has been retrieved by the community for analysis.  
*Establishing contacts and support activities for the DRIHM.eu 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.
*Establishing contacts and support activities for the DRIHM.eu 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 <span style="">quantum chemistry ab initio</span> program, designed primarily for calculations on crystals, slabs and polymersand) and&nbsp; VENUS (calculates the trajectory for two reactants, atoms or molecules, by integrating the Hamilton equation in cartesian coordinates)<br>  
*Support to the COMPCHEM VO: different user support activities have been carried out. In particular application porting and computing model creation for two packages: CRYSTAL (a <span style="">quantum chemistry ab initio</span> program, designed primarily for calculations on crystals, slabs and polymersand) and&nbsp; VENUS (calculates the trajectory for two reactants, atoms or molecules, by integrating the Hamilton equation in cartesian coordinates)<br>  
*Coordination and management activities related to the creation of a VRC out of the existing Chemistry, Molecular &amp; Materials Science and Technology oriented EGI VOs - see section about CMMST&nbsp;Virtual&nbsp;Team<br>
*Coordination and management activities related to the creation of a VRC out of the existing Chemistry, Molecular &amp; Materials Science and Technology oriented EGI VOs - see section about CMMST&nbsp;Virtual&nbsp;Team<br>  
*Participation to the EGI-XSEDE interoperability project where collaborative use cases activities have been provided in collaboration with COMPCHEM VO<br>  
*Participation to the EGI-XSEDE interoperability project where collaborative use cases activities have been provided in collaboration with the COMPCHEM VO<br>  
*The INFN-SPES&nbsp;experiment at the Legnaro National Laboratories, in Legnaro, Padova - the community requested the porting of the FLUKA MonteCarlo application to the NGI_IT&nbsp;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.
*The INFN-SPES&nbsp;experiment at the Legnaro National Laboratories, in Legnaro, Padova - the community requested the porting of the FLUKA MonteCarlo application to the NGI_IT&nbsp;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 <span class="st">Institute for Microelectronics and Microsystems (CNR-IMM),&nbsp;</span> to create the distributed computing model for two application: DMRG (self developed quantum simulation) and&nbsp; QUANTUM_ESPRESSO. The porting for the first application has been completed and a frontend though the IGI-Portal has been created.<br>  
*Collabration with the Bologna University, Department of Physics and with the National Research Coucil, Institute <span class="st">Institute for Microelectronics and Microsystems (CNR-IMM),&nbsp;</span> to create the distributed computing model for two applications: DMRG (self developed quantum simulation) and&nbsp; QUANTUM_ESPRESSO. The porting for the first application has been completed and a frontend though the IGI-Portal has been created.<br>  
*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.<br>
*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.<br>  
*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<br>
*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<br>  
*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 ()<br>  
*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 ()<br>  
*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&nbsp;infrastructure. It will be held in Rome, hosted by Consortium GARR for a selected number of reasearch groups
*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&nbsp;infrastructure. It will be held in Rome, hosted by Consortium GARR for a selected number of reasearch groups  
*Participation to CVMFS-TF and&nbsp; CVMFS setup and testing for the the following VO: gridit (national catch all), superb and argo;
*Participation to CVMFS-TF and&nbsp; CVMFS setup and testing for the the following VO: gridit (national catch all), superb and argo;



Revision as of 11:08, 31 October 2013

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Inspire reports menu: Home SA1 weekly Reports SA1 Task QR Reports NGI QR Reports NGI QR User support Reports



Quarterly Report Number NGI Name Partner Name Author


1. MEETINGS AND DISSEMINATION

1.1. CONFERENCES/WORKSHOPS ORGANISED

Date Location Title Participants Outcome (Short report & Indico URL)


1.3. PUBLICATIONS

Publication title Journal / Proceedings title Journal references
Volume number
Issue

Pages from - to
Authors
1.
2.
3.
Et al?

2. ACTIVITY REPORT

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 completed during PQ14 and the entire output (more than 4TB) has been retrieved by the community for analysis.
  • Establishing contacts and support activities for the DRIHM.eu 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 creation for 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 the 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 with the National Research Coucil, Institute Institute for Microelectronics and Microsystems (CNR-IMM),  to create the distributed computing model for two applications: 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