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Using GPU Accelerators for Parallel Simulations in Material Physics
This work is focused on parallel simulation of electron-electron interactions in materials with non-trivial topo- logical order (i.e. Chern insulators). The problem of electron-electron interaction systems can be solved by diagonalizing a many-body Hamiltonian matrix in a basis of configurations ...
Highly Scalable Quantum Transfer Matrix Simulations of Molecule-Based Nanomagnets on a Parallel IBM BlueGene/P Architecture
In this work we present a very efficient scaling of our two applications based on the quantum transfer matrix method which we exploited to simulate the thermodynamic properties of Cr9 and Mn6 molecules as examples of the uniform and non-uniform molecular nanomagnets. The test runs were conducted ...
A Duality between Forward and Adjoint MPI Communication Routines
In this article, we explore a natural duality that exist between MPI communication routines in parallel programs, and show the ease of its adjoint implementation via pointers.
Porting the OPATM-BFM Application to a Grid e-Infrastructure – Optimization of Communication and I/O Patterns
OPATM-BFM is an off-line three-dimensional coupled eco-hydrodynamic simulation model used for biogeochemical and ecosystem-level predictions. This paper presents the first results of research activities devoted to the adaptation of the parallel OPATMBFM application for an efficient usage in moder ...
Parallel Large Scale Simulations in the PL-Grid Environment
The growing demand for computational power causes that Grids are becoming mission-critical components in research and industry, offering sophisticated solutions in leveraging large-scale computing and storage resources. The nature a Grid in which resources are usually shared among multiple organi ...