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<!-- VERY IMPORTANT | <!-- VERY IMPORTANT | ||
This report covers support activities to existing user communities, and belongs to EGI-InSPIRE SA1 (Task SA1.7 - Support Teams). The outreach to new communities activities that NGIs perform under NA2 are gathered through the Virtual Teams. However, there may be outreach activities that do outside of VTs. You can report about these in your 2.2.3 paragraph as well. | This report covers support activities to existing user communities, and belongs to EGI-InSPIRE SA1 (Task SA1.7 - Support Teams). The outreach to new communities activities that NGIs perform under NA2 are gathered through the Virtual Teams. However, there may be outreach activities that do outside of VTs. You can report about these in your 2.2.3 paragraph as well. | ||
Latest revision as of 11:42, 23 January 2015
| EGI Inspire Main page |
| 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 |
|---|---|---|---|
| QR14 | NGI_AEGIS | Institute of Physics Belgrade | Vladimir Slavnic |
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? |
|---|---|---|---|
| Electronic States at Low-Angle Grain Boundaries in Polycrystalline Naphthalene | J. Phys. Chem. C | 117 (2013) 15741; DOI: 10.1021/jp404825h | 1. M. Mladenovic 2. N. Vukmirovic 3. I. E. Stankovic |
| Finite-temperature Crossover and the Quantum Widom Line Near the Mott Transition | Phys. Rev. B | 88 (2013) 075143; DOI: 10.1103/PhysRevB.88.075143 | 1. J. Vucicevic 2. H. Terletska 3. D. Tanaskovic Et al |
| Modelling of Disaster Spreading Dynamics | Springer Book Series on Modeling and Optimization in Science and Technologies | 2013, Vol. 2, p. 31-42; DOI: 10.1007/978-3-319-01520-0_4 | 1. I.E. Stankovic 2. M. Zezelj 3. J. Smiljanic Et al |
| Implementation and Benchmarking of New FFT Libraries in Quantum ESPRESSO | Springer Book Series on Modeling and Optimization in Science and Technologies | 2013, Vol. 2, p. 155-162; DOI: 10.1007/978-3-319-01520-0_19 | 1. D. Stankovic 2. P. Jovanovic 3. A. Jovic Et al |
| An Analysis of FFTW and FFTE Performance | Springer Book Series on Modeling and Optimization in Science and Technologies | 2013, Vol. 2, p. 163-170; DOI: 10.1007/978-3-319-01520-0_20 | 1. M. Nikolic 2. A. Jovic 3. J. Jakic Et al |
| Vibrational Spectroscopy of Picolinamide and Water: From Dimers to Condensed Phase | J. Phys. Chem. A | 117 (2013) 6474; DOI: 10.1021/jp402033c | 1. V. Jovanovic 2. Y. Miyazaki 3. T. Ebata Et al |
2. ACTIVITY REPORT
2.1. User Support achievements
NGI_AEGIS User Support Team continued successful user support throughout this quarter. As a part of our activities, together with Serbian chemistry community, we updated the software packages deployed on AEGIS01-IPB-SCL site to their latest versions: OpenEye’s application SZMAP and an electronic structure program package ORCA. In addition to that, NAMD 2.8 compiled with PLUMED plugin was added to the software stack. PLUMED is an open source plugin for free energy calculations in molecular systems.
NGI_AEGIS Helpdesk (https://helpdesk.aegis.rs/) and NGI_AEGIS website (http://www.aegis.rs/) have been regularly maintained and we continued to participate in tests of GGUS and NGI_AEGIS Helpdesk interface (after the new release of GGUS portal).
Scientific Computing Laboratory of Institute of Physics Belgrade that hosts AEGIS01-IPB-SCL resource centre (and NGI_AEGIS core services) had a major infrastructure upgrade in which new cooling system was installed and all machines were moved to new water-cooled racks so that functioning of NGI_AEGIS Grid services is now even more reliable with the perspective of their expansion in the near future.
2.2. Plans
Gridification and porting of new applications to NGI_AEGIS Grid infrastructure in collaboration with supported user communities.
2.3. Issues and mitigation
| Issue Description | Mitigation Description |
|---|