Domain decomposition error + Setting MPI ranks compatible with custom domains
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2
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751
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October 30, 2024
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AVX2 on Ryzen: What should I look for?
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2
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57
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August 21, 2024
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Optimizing Selection of RTX 40 Series GPUs: Evaluating Performance and Cost Efficiency
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6
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200
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June 6, 2024
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Scaling problem for very large systems
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14
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147
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May 29, 2024
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Running Gromacs in HPC
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5
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529
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May 17, 2024
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Low Gromacs Performance on WSL Environment
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4
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208
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March 4, 2024
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GROMACS performance on 8 cores workstation
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8
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1464
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February 20, 2024
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Scaling of MD with domain decomposition on JUWELS Cluster
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2
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236
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February 9, 2024
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Unevern spikes in RMSD graphs after MD simulations
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5
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634
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January 29, 2024
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The initial estimative of -nt <int> parameter
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0
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156
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December 15, 2023
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A series of performance benchmarks for MD Apps, including GROMACS
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17
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3850
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December 6, 2023
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Reducing "Wait GPU state copy" for single GPU runs
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11
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2717
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November 19, 2023
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Are these timings fine?
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3
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329
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November 14, 2023
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Keywords in command line for getting good performance in gromacs
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2
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279
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October 27, 2023
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1 millisecond Coarse Grained simulation
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2
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402
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September 24, 2023
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MD performance help using V_100 GPU
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7
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877
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June 21, 2023
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NVT memory error for free energy calculation
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1
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268
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April 4, 2023
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Users of spack-based GROMACS installations beware of possible performance loss!
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0
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511
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March 30, 2023
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New blog on multi-GPU scalability
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0
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367
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February 10, 2023
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GROMACS on Zen4: AVX2 vs AVX512
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0
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336
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February 3, 2023
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New blog post on maximizing GROMACS throughput on GPUs
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2
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818
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January 13, 2023
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Why load balancing is limited by minimum cell size in dimension X,Y,Z?
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1
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975
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September 5, 2022
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Regarding Editing the RAM and Compiling from GROMACS Source to improve performance
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0
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326
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April 27, 2022
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Large % of "rest" time when running on GPU
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0
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732
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December 23, 2021
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Performance on Fujitsu A64FX
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3
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548
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July 19, 2021
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Efficient parallelization schme
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5
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664
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June 7, 2021
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Percentage of CPU and GPU runs
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1
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409
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May 11, 2021
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Increase Performance of the simulation
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3
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2799
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April 27, 2021
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Quadro rtx 6000 performance
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2
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596
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April 19, 2021
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Speed Comparision against Maestro
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11
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2352
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April 12, 2021
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