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Low Gromacs Performance on WSL Environment
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4
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71
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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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1113
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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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136
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February 9, 2024
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Unevern spikes in RMSD graphs after MD simulations
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5
|
478
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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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111
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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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2280
|
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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2201
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November 19, 2023
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Are these timings fine?
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3
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187
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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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211
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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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264
|
September 24, 2023
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MD performance help using V_100 GPU
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7
|
620
|
June 21, 2023
|
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NVT memory error for free energy calculation
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1
|
226
|
April 4, 2023
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Users of spack-based GROMACS installations beware of possible performance loss!
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0
|
364
|
March 30, 2023
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|
New blog on multi-GPU scalability
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0
|
315
|
February 10, 2023
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GROMACS on Zen4: AVX2 vs AVX512
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0
|
230
|
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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708
|
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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789
|
September 5, 2022
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Regarding Editing the RAM and Compiling from GROMACS Source to improve performance
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0
|
288
|
April 27, 2022
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Large % of "rest" time when running on GPU
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|
0
|
597
|
December 23, 2021
|
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Performance on Fujitsu A64FX
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3
|
488
|
July 19, 2021
|
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Efficient parallelization schme
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5
|
552
|
June 7, 2021
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Percentage of CPU and GPU runs
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|
1
|
359
|
May 11, 2021
|
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Domain decomposition error + Setting MPI ranks compatible with custom domains
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0
|
604
|
April 28, 2021
|
|
Increase Performance of the simulation
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|
3
|
2299
|
April 27, 2021
|
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Quadro rtx 6000 performance
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2
|
514
|
April 19, 2021
|
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Speed Comparision against Maestro
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|
11
|
1957
|
April 12, 2021
|
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Performance degradation on 2021.1 with RTX 3070
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|
1
|
651
|
April 9, 2021
|
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PME tuning/rcoulomb scaling
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|
2
|
1365
|
March 29, 2021
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