High-Performance Computing Infrastructure for South East Europe's Research Communities: Results of the HP-SEE User Forum 2012

Front Matter....Pages 1-9
Simulation of Electron Transport Using HPC Infrastructure in South-Eastern Europe....Pages 1-13
Density Waves in Dipolar Bose-Einstein Condensates by Means of Symbolic Computations....Pages 15-21
Using Parallel Computing to Calculate Static Interquark Potential in LQCD....Pages 23-30
Modelling of Disaster Spreading Dynamics....Pages 31-42
Determination of Zone of Flow Instability in a Gas Flow Past a Square Particle in a Narrow Microchannel....Pages 43-50
Quenched Hadron Spectroscopy Using FermiQCD....Pages 51-58
Self-Avoiding Hamiltonian Walks Counting in Parallel Processing Mode....Pages 59-66
Conformational Analysis and HF ab initio Geometry Optimization of Kyotorphine and Its Sulfo-Analogues Norsulfoarginine-Tyrosine and Tyrosine-Norsulfoarginine....Pages 67-74
Dynamics of Uninhibited and Covalently Inhibited Cysteine Protease on Non-physiological pH....Pages 75-82
Mechanisms of Polarization....Pages 83-92
Some Aspects of the Comparative Study of Semi-empirical Combustion Models on FLUENT and OpenFOAM Codes....Pages 93-98
Development of a Hybrid Statistical Physics – Quantum Mechanical Methodology for Computer Simulations of Condensed Phases and Its Implementation on High-Performance Computing Systems....Pages 99-108
Solvatochromic Effect for the Denaturation and Mutation Processes in DNA: Computational Study....Pages 109-115
Dynamic Features of Complex Systems: A Molecular Simulation Study....Pages 117-121
Using Adaptive Mesh Refinement Strategy for Numerical Solving of Gas Dynamics Problems on Multicore Computers....Pages 123-130
Number Theory Algorithms on GPU Clusters....Pages 131-138
Advanced Vulnerability Assessment Tool for Distributed Systems....Pages 139-146
Performance and Scalability Evaluation of Short Fragment Sequence Alignment Applications....Pages 147-154
Implementation and Benchmarking of New FFT Libraries in Quantum ESPRESSO....Pages 155-162
An Analysis of FFTW and FFTE Performance....Pages 163-170
Back Matter....Pages 171-171