Angara interconnect makes GPU-based Desmos supercomputer an efficient tool for molecular dynamics calculations

Systematic adaptation of stencil-based 3D MPDATA to GPU architectures

(2016) Krzysztof Rojek et al.   CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE

On the Virtualization of CUDA Based GPU Remoting on ARM and X86 Machines in the GVirtuS Framework

(2016) Raffaele Montella et al.   INTERNATIONAL JOURNAL OF PARALLEL PROGRAMMING

An Approach to Forecast Queue Time in Adaptive Scheduling: How to Mediate System Efficiency and Users Satisfaction

(2016) G. B. Barone et al.   INTERNATIONAL JOURNAL OF PARALLEL PROGRAMMING

Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes

(2016) Nikolay D. Kondratyuk et al.   JOURNAL OF CHEMICAL PHYSICS

Fattened backfilling: An improved strategy for job scheduling in parallel systems

(2016) César Gómez-Martín et al.   JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING

Best bang for your buck: GPU nodes for GROMACS biomolecular simulations

(2015) Carsten Kutzner et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations

(2014) Stefano Piana et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

The Tofu Interconnect

(2011) Yuichiro Ajima et al.   IEEE MICRO