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2025 open access

Universal exotic dynamics in critical mesoscopic systems: Simulating the square root of Avogadro’s number of spins

Mauro Bisson ; Alexandros Vasilopoulos ; Massimo Bernaschi ; Massimiliano Fatica ; Nikolaos G. Fytas ; Isidoro Gonzalez-Adalid Pemartin ; Víctor Martín-Mayor

We explicitly demonstrate the universality of critical dynamics through unprecedented large-scale Graphics Processing Units (GPU)-based simulations of two out-of-equilibrium processes, comparing the behavior of spin-1/2 Ising and spin-1 Blume-Capel models on a square lattice. In the first protocol, a completely disordered system is instantaneously brought into contact with a thermal bath at the critical temperature, allowing it to evolve until the coherence length exceeds 103 lattice spacings. Finite-size effects are negligible due to the mesoscopic scale of the lattice sizes studied, with linear dimensions up to L=222 and 219 for the Ising and Blume-Capel models, respectively. Our numerical data, and the subsequent analysis, demonstrate a strong dynamic universality between the two models and provide the most precise estimate to date of the dynamic critical exponent for this universality class, z=2.1676⁢(1). In the second protocol, we corroborate the role of the universal ratio of dynamic and static length scales in achieving an exponential acceleration in the approach to equilibrium just above the critical temperature, through a time-dependent variation of the thermal bath temperature. The results presented in this work leverage our Compute Unified Device Architecture (CUDA)-based numerical code, breaking the world record for the simulation speed of the Ising model.

Classical statistical mechanics, Critical exponents, Dynamic critical phenomena, Finite-size scaling, Ising model Metropolis algorithm, Monte Carlo method
2025 Articolo in rivista open access

Massive-scale simulations of 2D Ising and Blume-Capel models on rack-scale multi-GPU systems

Bisson, Mauro ; Bernaschi, Massimo ; Fatica, Massimiliano ; Fytas, Nikolaos G. ; Gonzalez-Adalid Pemartin, Isidoro ; Martín-Mayor, Víctor ; Vasilopoulos, Alexandros

We present high-performance implementations of the two-dimensional Ising and Blume-Capel models for large-scale, multi-GPU simulations. Our approach takes full advantage of the NVIDIA GB200 NVL72 system, which features up to 72 GPUs interconnected via high-bandwidth NVLink, enabling direct GPU-to-GPU memory access across multiple nodes. By utilizing Fabric Memory and an optimized Monte Carlo kernel for the Ising model, our implementation supports simulations of systems with linear sizes up to L=223, corresponding to approximately 70 trillion spins. This allows for a peak processing rate of nearly 1.15×105 lattice updates per nanosecond—setting a new performance benchmark for Ising model simulations. Additionally, we introduce a custom protocol for computing correlation functions, which strikes an optimal balance between computational efficiency and statistical accuracy. This protocol enables large-scale simulations without incurring prohibitive runtime costs. Benchmark results show near-perfect strong and weak scaling up to 64 GPUs, demonstrating the effectiveness of our approach for large-scale statistical physics simulations. Program summary: Program title: cuIsing (optimized) CPC Library link to program files: https://doi.org/10.17632/ppkwwmcpwg.1 Licensing provisions: MIT license Programming languages: CUDA C Nature of problem: Comparative studies of the critical dynamics of the Ising and Blume-Capel models are essential for gaining deeper insights into phase transitions, enhancing computational methods, and developing more accurate models for complex physical systems. To minimize finite-size effects and optimize the statistical quality of simulations, large-scale simulations over extended time scales are necessary. To support this, we provide two high-performance codes capable of running simulations with up to 70 trillion spins. Solution method: We present updated versions of our multi-GPU code for Monte Carlo simulations, implementing both the Ising and Blume-Capel models. These codes take full advantage of multi-node NVLink systems, such as the NVIDIA GB200 NVL72, enabling scaling across GPUs connected across different nodes within the same NVLink domain. Communication between GPUs is handled seamlessly via Fabric Memory–a novel memory allocation technique that facilitates direct memory access between GPUs within the same domain, eliminating the need for explicit data transfers. By employing highly optimized CUDA kernels for the Metropolis algorithm and a custom protocol that reduces the computational overhead of the correlation function, our implementation achieves the highest recorded performance to date.

Monte Carlo Simulation, CUDA C, Massive-Scale simulations
2014 Contributo in Atti di convegno metadata only access

From medical imaging to computer simulation of fractional flow reserve in four coronary artery trees

We present the results of a computational study of coronary trees obtained from CT acquisition at resolution of 0.35mm x 0.35mm x 0.4mm and presenting significant stenotic plaques. We analyze the cardiovascular implications of stenotic plaques for a sizeable number of patients and show that the standard clinical criterion for surgical or percutaneous intervention, based on the Fractional Flow Reserve (FFR), is well reproduced by simulations in a range of inflow conditions that can be finely controlled. The relevance of the present study is related to the reproducibility of FFR data by simulating the coronary trees at global level via high performance simulation methods together with an independent assessment based on in vitro hemodynamics. The data show that controlling the flow Reynolds number is a viable procedure to account for FFR as heart-cycle time averages and maximal hyperemia, as measured in vivo. The reproducibility of the clinical data with simulation offers a systematic approach to measuring the functional implications of stenotic plaques. © 2014 SPIE.

Atherosclerotic plaques Fractional Flow Reserve Hemodynamics High-Performance computing In vitro analysis Segmentation to Simulation pipeline
2012 Articolo in rivista metadata only access

Multiscale hemodynamics using GPU clusters

The parallel implementation of MUPHY, a concurrent multiscale code for large-scale hemodynamic simulations in anatomically realistic geometries, for multi-GPU platforms is presented. Performance tests show excellent results, with a nearly linear parallel speed-up on up to 32GPUs and a more than tenfold GPU/CPU acceleration, all across the range of GPUs. The basic MUPHY scheme combines a hydrokinetic (Lattice Boltzmann) representation of the blood plasma, with a Particle Dynamics treatment of suspended biological bodies, such as red blood cells. To the best of our knowledge, this represents the first effort in the direction of laying down general design principles for multiscale/physics parallel Particle Dynamics applications in non-ideal geometries. This configures the present multi-GPU version of MUPHY as one of the first examples of a high-performance parallel code for multiscale/physics biofluidic applications in realistically complex geometries. © 2012 Global-Science Press.

Hemodynamics Irregular domain Molecular dynamics Multi-GPU computing
2011 Contributo in Atti di convegno metadata only access

Petaflop biofluidics simulations on a two million-core system

Bernaschi Massimo ; Bisson Mauro ; Endo Toshio ; Matsuoka Satoshi ; Fatica Massimiliano ; Melchionna Simone

We present a computational framework for multi-scale simulations of real-life biofluidic problems. The framework allows to simulate suspensions composed by hundreds of millions of bodies interacting with each other and with a surrounding fluid in complex geometries. We apply the methodology to the simulation of blood flow through the human coronary arteries with a spatial resolution comparable with the size of red blood cells, and physiological levels of hematocrit (the red blood cell volume fraction). The simulation exhibits excellent scalability on a cluster of 4000 M2050 Nvidia GPUs and achieves close to 1 Petaflop aggregate performance, which demonstrates the capability to predicting the evolution of biofluidic phenomena of clinical significance. The combination of novel mathematical models, computational algorithms, hardware technology, code tuning and optimization required to achieve these results are presented. Copyright 2011 ACM.

Biofluidics Hemodynamics Multigpu