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1. MEETINGS AND DISSEMINATION
1.1. CONFERENCES/WORKSHOPS ORGANISED
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|Publication title||Journal / Proceedings title||Journal references
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2. ACTIVITY REPORT
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.
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|