GPU-based acceleration of free energy calculations in solid state physics
arXiv:1412.8754 · doi:10.1016/j.cpc.2015.02.012
Abstract
Obtaining a thermodynamically accurate phase diagram through numerical calculations is a computationally expensive problem that is crucially important to understanding the complex phenomena of solid state physics, such as superconductivity. In this work we show how this type of analysis can be significantly accelerated through the use of modern GPUs. We illustrate this with a concrete example of free energy calculation in multi-band iron-based superconductors, known to exhibit a superconducting state with oscillating order parameter. Our approach can also be used for classical BCS-type superconductors. With a customized algorithm and compiler tuning we are able to achieve a 19x speedup compared to the CPU (119x compared to a single CPU core), reducing calculation time from minutes to mere seconds, enabling the analysis of larger systems and the elimination of finite size effects.
20 pages, 6 figures
References in corpus (21)
- Unconventional pairing originating from disconnected Fermi surfaces in superconducting LaFeAsOF}
- LaFeAsOF: A low carrier density superconductor near itinerant magnetism
- The Kernel Polynomial Method
- Observation of Fermi-surface-dependent nodeless superconducting gaps in Ba0.6K0.4Fe2As2
- Near-degeneracy of several pairing channels in multiorbital models for the Fe-pnictides
- To What Extent Iron-Pnictide New Superconductors Have Been Clarified: A Progress Report
- Is LaOFFeAs an electron-phonon superconductor ?
- Fulde-Ferrell-Larkin-Ovchinnikov State in Heavy Fermion Superconductors
- A minimal two-band model for the superconducting Fe-pnictides
- Multiband magnetism and superconductivity in Fe-based compounds
- Theory of magnetic excitations in iron-based layered superconductors
- Nodal Structure of Unconventional Superconductors Probed by the Angle Resolved Thermal Transport Measurements
- Chebyshev-BdG: an efficient numerical approach to inhomogeneous superconductivity
- Valley density-wave and multiband superconductivity in Fe-pnictides
- GPU accelerated Monte Carlo simulation of Brownian motors dynamics with CUDA
- The upper critical field and its anisotropy in LiFeAs
- Order N Monte Carlo Algorithm for Fermion Systems Coupled with Fluctuating Adiabatical Fields
- Fulde-Ferrell-Larkin-Ovchinnikov phase in the presence of pair hopping interaction
- Crossover from hc/e to hc/2e current oscillations in rings of s-wave superconductors
- Impurity-induced configuration-transition in the Fulde-Ferrell-Larkin-Ovchinnikov state of a d-wave superconductor
- Exact diagonalization of the Hubbard model on graphics processing units
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- Reduced-Shifted Conjugate-Gradient Method for a Green's Function: Efficient Numerical Approach in a Nano-structured Superconductor