Szilárd Páll
Szilárd Páll
Researcher, PDC KTH Royal Institute of Technology
Verified email at - Homepage
Cited by
Cited by
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl
SoftwareX 1, 19-25, 2015
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
S Pronk, S Páll, R Schulz, P Larsson, P Bjelkmar, R Apostolov, MR Shirts, ...
Bioinformatics 29 (7), 845-854, 2013
Tackling exascale software challenges in molecular dynamics simulations with GROMACS
S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl
Solving Software Challenges for Exascale, 3-27, 2014
A flexible algorithm for calculating pair interactions on SIMD architectures
S Páll, B Hess
Computer Physics Communications 184 (12), 2641-2650, 2013
Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS
S Páll, A Zhmurov, P Bauer, M Abraham, M Lundborg, A Gray, B Hess, ...
The Journal of Chemical Physics 153 (13), 2020
More bang for your buck: Improved use of GPU nodes for GROMACS 2018
C Kutzner, S Páll, M Fechner, A Esztermann, BL de Groot, H Grubmüller
Journal of computational chemistry 40 (27), 2418-2431, 2019
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations
C Kutzner, S Páll, M Fechner, A Esztermann, BL de Groot, H Grubmüller
Journal of computational chemistry 36 (26), 1990-2008, 2015
Direct-space corrections enable fast and accurate Lorentz–Berthelot combination rule Lennard-Jones lattice summation
CL Wennberg, T Murtola, S Páll, MJ Abraham, B Hess, E Lindahl
Journal of chemical theory and computation 11 (12), 5737-5746, 2015
Solving software challenges for exascale
S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl
Lecture Notes in Computer Science 8750, 3-27, 2015
GROMACS user manual
E Apol, R Apostolov, HJ Berendsen, A van Buuren, P Bjelkmar, ...
University of Groningen, Netherlands, 1991
GROMACS user manual version 4.5. 4
E Apol, R Apostolov, HJC Berendsen, A Van Buuren, P Bjelkmar, ...
Royal Institute of Technology and Uppsala University, Stockholm, 2010
Experiences With Adding SYCL Support to GROMACS.
A Alekseenko, S Páll, E Lindahl
IWOCL, 17:1, 2021
Highly Tuned Small Matrix Multiplications Applied to Spectral Element Code Nek5000
B Hess, J Gong, S Páll, P Schlatter, A Peplinski
Exploring the Ultimate Regime of Turbulent Rayleigh–Bénard Convection Through Unprecedented Spectral-Element Simulations
N Jansson, M Karp, A Perez, T Mukha, Y Ju, J Liu, S Páll, E Laure, ...
Proceedings of the International Conference for High Performance Computing …, 2023
GPU Computing Approach for Parallelizing Support Vector Machine Classification
S Páll
Master’s thesis, Johannes Kepler University Linz, 2008
Advances in the OpenCL offload support in GROMACS.
S Páll, R Schulz
IWOCL, 7:1, 2019
LLVM AMDGPU for High Performance Computing: are we competitive yet?
V Miletić, S Páll, F Gräter
Poster: 3D tixels: a highly efficient algorithm for gpu/cpu-acceleration of molecular dynamics on heterogeneous parallel architectures
S Páll, B Hess, E Lindahl
Proceedings of the 2011 companion on High Performance Computing Networking …, 2011
Parallel, Distributed, and Grid Computing
W Schreiner, K Bósa, A Langegger, T Leitner, B Moser, S Páll, V Wieser, ...
Hagenberg Research, 333-378, 2009
Comparing the Performance of SYCL Runtimes for Molecular Dynamics Applications
A Alekseenko, S Páll
IWOCL & SYCLcon 2023, 3585350, 2023
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