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Quarterly Report Number NGI Name Partner Name Author



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


Publication title Journal / Proceedings title Journal references
Volume number

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Et al?
Evaluating mixed HTC/cloud approaches for parameter sweep applications in systems biology to appear in the Proceedings of the 2nd International Work-Conference on Bioinformatics and Biomedical Engineering (IWBBIO) Granada, Spain, 2014 I. Merelli, E. Mosca, D. Cesini, E. Ronchieri, L. Milanesi
On the implementation of three popular computational chemistry applications using the EGI distributed computing infrastructure to appear in the Proceedings of the 2014 International Conference on Computational Science and Its Applications, University of Minho, Guimaraes, Portugal
A. Costantini, D. Cesini, D. Michelotto, M. Bencivenni, V. Boccia, E. Giorgio, A. Laganà
The WNoDeS cloud virtualization framework: a macromolecular surface analysis application case study In proceeding of: 22nd Euromicro International Conference on Parallel, Distributed and network-based Processing (PDP), At Turin, Italy, 02/2014; DOI:10.1109/PDP.2014.54 E. Ronchieri, D. Cesini, D. D'Agostino, V. Ciaschini, G. Dalla Torre, P. Cozzi, D. Salomoni, A. Clematis, L. Milanesi, I. Merelli
User Interaction and Data Management for Large Scale Grid Applications J. of Grid Computing, accepted for publication Costantini A., Gervasi O., Zollo F., Caprini L.
Accessing Grid and Cloud Services through a Scientific Web portal J. of Grid Computing, submitted 2014 Bencivenni M., Michelotto D., Alfieri R., Brunetti R., Ceccanti A., Cesini D., Costantini A., Fattibene E., Gaido L., Misurelli G., Ronchieri E., Salomoni D., Veronesi P., Venturi V., Vistoli M.C.
Grid Computing in Computational Chemistry Chemistry, Molecular Sciences and Chemical Engineering, submitted (2014) Laganà A., Manuali C., Costantini A.
BOOK OF ABSTRACTS of the 1st Italian Grid Training Workshop of the Italian Grid Infrastructure (IGI) Virt&l-Comm (, submitted (2014)
Costantini A., Cesini D., Boccia V., Giorgio E., and Laganà A.


2.1. User Support achievements

- Support in porting the ORCA application given to a research group of the dept. of chemistry of the University of Florence
- Follow-up of the training workshop addressed to the computational chemistry community held in Rome in PQ15:
- a special issue of the electronic journal of the compchem VO (VIRT&L-COMM) presenting the material has been prepared
- Support given to the Biocomputing group of the Bologna University in preparing the input data and the computing model for a production (about 1M Corehours) based on BLAST
- The porting activity of the GEANT4 application in collaboration with various INFN groups started, in particular the NGI user support team is developing the high level interface, this work is currently stuck due to lack of manpower.
- Support was given to the ITB institute of the National Research Council (CNR-ITB), Milan Dept, in running on a couple of NGI_IT grid sites parallel runs of the GROMACS application with a level of parallelism varying from 16 to 48 cores.
- The support to the DRIHM project continued during the quarter.

2.2. Plans

Finalizing of the porting activity of GEANT4
Start of the BLAST production in collaboration the Biocomputing group of the Bologna University
Continue the support to the ported application and improving the high level web interfaces created in the previous quarters

2.3. Issues and mitigation

Issue Description Mitigation Description

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