Breaking down the parallel performance of GROMACS, a high-performance molecular dynamics software (Q6135469)
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scientific article; zbMATH DE number 7731587
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| English | Breaking down the parallel performance of GROMACS, a high-performance molecular dynamics software |
scientific article; zbMATH DE number 7731587 |
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Breaking down the parallel performance of GROMACS, a high-performance molecular dynamics software (English)
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25 August 2023
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molecular dynamics
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Particle-Mesh Ewald calculations
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fast Fourier transform
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