Massively Parallel Trotter-Suzuki Solver
The Trotter-Suzuki approximation leads to an efficient algorithm for simulating quantum systems. This library provides a scalable, high-precision implementation that uses parallel and distributed computational resources. The implementation built on single-node parallel kernels , extending them to use distributed resources , and generalizing the kernels to be able to tackle a wider range of problems in quantum physics .
- Simulation of 1D and 2D quantum systems.
- Cartesian and cylindrical coordinate systems.
- Arbitrary single-body initial state with closed and periodic boundary conditions.
- Many-body simulations with non-interacting particles.
- Solving the Gross-Pitaevskii equation (e.g., dark solitons, vortex dynamics in Bose-Einstein Condensates).
- Imaginary time evolution to calculate the ground state.
- Stationary and time-dependent external potential.
- C++ application programming interface (API).
- A Python wrapper is provided.
- Cache optimized multi-core and GPU kernels.
- Near-linear scaling across multiple nodes with computations overlapping communication.
Copyright and License
Trotter-Suzuki-MPI is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version.
Trotter-Suzuki-MPI is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
The original high-performance kernels were developed by Carlos Bederián. The distributed extension was carried out while Peter Wittek was visiting the Department of Computer Applications in Science & Engineering at the Barcelona Supercomputing Center, funded by the "Access to BSC Facilities" project of the HPC-Europe2 programme (contract no. 228398). Generalizing the capabilities of kernels was carried out by Luca Calderaro while visiting the Quantum Information Theory Group at ICFO-The Institute of Photonic Sciences, sponsored by the Erasmus+ programme. Further computational resources were granted by the Spanish Supercomputing Network (FY-2015-2-0023 and FI-2016-3-0042) and the Swedish National Infrastructure for Computing (SNIC 2015/1-162 and 2016/1-320), and a hardware donation by Nvidia. Pietro Massignan has contributed to the project with extensive testing and suggestions of new features.
Bederián, C. and Dente, A. (2011). Boosting quantum evolutions using Trotter-Suzuki algorithms on GPUs. Proceedings of HPCLatAm-11, 4th High-Performance Computing Symposium. PDF
Wittek, P. and Cucchietti, F.M. (2013). A Second-Order Distributed Trotter-Suzuki Solver with a Hybrid CPU-GPU Kernel. Computer Physics Communications, 184, pp. 1165-1171. PDF
Wittek, P. and Calderaro, L. (2015). Extended computational kernels in a massively parallel implementation of the Trotter-Suzuki approximation. Computer Physics Communications, 197, pp. 339-340. PDF