mdrun-performance
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Regarding Editing the RAM and Compiling from GROMACS Source to improve performance |
|
0 | 45 | April 27, 2022 |
| Reducing "Wait GPU state copy" for single GPU runs |
|
10 | 246 | February 4, 2022 |
| GROMACS performance on 8 cores workstation |
|
4 | 159 | January 28, 2022 |
| Large % of "rest" time when running on GPU |
|
0 | 80 | December 23, 2021 |
| New blog post on maximizing GROMACS throughput on GPUs |
|
0 | 143 | October 11, 2021 |
| Performance on Fujitsu A64FX |
|
3 | 181 | July 19, 2021 |
| Efficient parallelization schme |
|
5 | 181 | June 7, 2021 |
| Percentage of CPU and GPU runs |
|
1 | 116 | May 11, 2021 |
| Domain decomposition error + Setting MPI ranks compatible with custom domains |
|
0 | 133 | April 28, 2021 |
| Increase Performance of the simulation |
|
3 | 594 | April 27, 2021 |
| Quadro rtx 6000 performance |
|
2 | 165 | April 19, 2021 |
| Speed Comparision against Maestro |
|
11 | 593 | April 12, 2021 |
| Performance degradation on 2021.1 with RTX 3070 |
|
1 | 261 | April 9, 2021 |
| PME tuning/rcoulomb scaling |
|
2 | 380 | March 29, 2021 |