Szilárd Páll

20 papers A 1Journal 10Unranked 8
YearRankTypeTitle / Venue / Authors
2026 — conf
Task-decomposed Overlapped Preconditioner for Sustained Strong Scalability on Accelerated Exascale Systems.
SCA/HPC Asia
Niclas Jansson, Martin Karp, Szilárd Páll, Stefano Markidis, Philipp Schlatter
2025 — conf
Redesigning GROMACS Halo Exchange: Improving Strong Scaling with GPU-initiated NVSHMEM.
SC Workshops
Mahesh Doijade, Andrey Alekseenko, Ania Brown, Alan Gray, Szilárd Páll
2025 J jnl
Redesigning GROMACS Halo Exchange: Improving Strong Scaling with GPU-initiated NVSHMEM.
CoRR
Mahesh Doijade, Andrey Alekseenko, Ania Brown, Alan Gray, Szilárd Páll
2024 — conf
GROMACS on AMD GPU-Based HPC Platforms: Using SYCL for Performance and Portability.
CUG
Andrey Alekseenko, Szilárd Páll, Erik Lindahl
2024 J jnl
GROMACS on AMD GPU-Based HPC Platforms: Using SYCL for Performance and Portability.
CoRR
Andrey Alekseenko, Szilárd Páll, Erik Lindahl
2023 — conf
Comparing the Performance of SYCL Runtimes for Molecular Dynamics Applications.
IWOCL
Andrey Alekseenko, Szilárd Páll
2023 A conf
Exploring the Ultimate Regime of Turbulent Rayleigh-Bénard Convection Through Unprecedented Spectral-Element Simulations.
SC
Niclas Jansson, Martin Karp, Adalberto Perez, Timofey Mukha, Yi Ju, Jiahui Liu, Szilárd Páll, Erwin Laure, Tino Weinkauf, Jörg Schumacher, Philipp Schlatter, Stefano Markidis
2021 — conf
Experiences With Adding SYCL Support to GROMACS.
IWOCL
Andrey Alekseenko, Szilárd Páll, Erik Lindahl
2020 J jnl
Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS.
CoRR
Szilárd Páll, Artem A. Zhmurov, Paul Bauer, Mark James Abraham, Magnus Lundborg, Alan Gray, Berk Hess, Erik Lindahl
2019 — conf
Advances in the OpenCL offload support in GROMACS.
IWOCL
Szilárd Páll, Roland Schulz
2019 J jnl
More Bang for Your Buck: Improved use of GPU Nodes for GROMACS 2018.
CoRR
Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller
2019 J jnl
More bang for your buck: Improved use of GPU nodes for GROMACS 2018.
J. Comput. Chem.
Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller
2015 J jnl
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations.
CoRR
Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller
2015 J jnl
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations.
J. Comput. Chem.
Carsten Kutzner, Szilárd Páll, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmüller
2015 J jnl
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS.
CoRR
Szilárd Páll, Mark James Abraham, Carsten Kutzner, Berk Hess, Erik Lindahl
2014 — conf
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS.
EASC
Szilárd Páll, Mark James Abraham, Carsten Kutzner, Berk Hess, Erik Lindahl
2013 J jnl
A flexible algorithm for calculating pair interactions on SIMD architectures.
Comput. Phys. Commun.
Szilárd Páll, Berk Hess
2013 J jnl
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit.
Bioinform.
Sander Pronk, Szilárd Páll, Roland Schulz, Per Larsson, Pär Bjelkmar, Rossen Apostolov, Michael R. Shirts, Jeremy C. Smith, Peter M. Kasson, David van der Spoel, Berk Hess, Erik Lindahl
2011 — conf
Poster: 3D tixels: a highly efficient algorithm for gpu/cpu-acceleration of molecular dynamics on heterogeneous parallel architectures.
SC Companion
Szilárd Páll, Berk Hess, Erik Lindahl
2009 — ch.
Parallel, Distributed, and Grid Computing.
Hagenberg Research
Wolfgang Schreiner, Károly Bósa, Andreas Langegger, Thomas Leitner, Bernhard Moser, Szilárd Páll, Volkmar Wieser, Wolfram Wöß