Martin Bauernfeind
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fb304f240b
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Small changes in buildNeighbor to initialize the bincount list and other arrays only once
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2022-07-13 14:42:34 +02:00 |
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Martin Bauernfeind
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5a6d1851ed
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Ported updateAtomsPbc to cuda and changed the code to use the cuda version from now on
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2022-07-13 14:07:19 +02:00 |
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Martin Bauernfeind
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f61f59ba3f
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Fixed a compiler error and removed an unnecessary memcpy (from device to host) - performance seems to have crossed the 300M updates/second mark for the A100
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2022-07-11 00:55:42 +02:00 |
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Martin Bauernfeind
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d1c2249b55
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Added code to sort the contents of all bins to make it comparable to the CPU version
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2022-07-11 00:24:48 +02:00 |
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Martin Bauernfeind
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c9db6e45fa
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Fixed compiler errors
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2022-07-10 21:13:37 +02:00 |
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Martin Bauernfeind
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0967e8f671
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The program now does the binning on the GPU via the binatoms_cuda method
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2022-07-10 18:05:06 +02:00 |
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Martin Bauernfeind
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fa409c016c
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Added a struct to contain binning information such as the pointer to bincount and bins - not used yet
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2022-07-08 13:52:45 +02:00 |
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Martin Bauernfeind
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b65199308d
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Ported the binatoms method to cuda - not used in the program yet
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2022-07-06 01:09:11 +02:00 |
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Martin Bauernfeind
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71798f5ec5
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🐛 Fixed aforementioned correctness issue by deleting a superflous cudaMemcpy in computeForce() that was overwriting correct data with incorrect data
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2022-07-05 00:54:11 +02:00 |
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Martin Bauernfeind
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4f0403d3ea
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Fixed an correctness issue by conservatively copying over data from and to the GPU
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2022-07-05 00:33:12 +02:00 |
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Martin Bauernfeind
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fa86e44f90
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Fixed wrong number of threadblock being launched
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2022-07-04 19:36:09 +02:00 |
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Martin Bauernfeind
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7e8fd96fa4
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Fixed some compiler errors - the simulation seems to be off regarding how many ghost atoms are used -> some bugfixing might be needed
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2022-07-03 21:14:33 +02:00 |
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Martin Bauernfeind
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463de5b1ed
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Ported the updatePbc method to cuda
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2022-07-03 19:53:33 +02:00 |
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Martin Bauernfeind
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4a32a62a98
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🐛 Fixed some bugs - ✨ neighborhood computation now seems to be quite fast
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2022-06-26 20:19:59 +02:00 |
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Martin Bauernfeind
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16e8b76012
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Added debug output to find memory leak
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2022-06-26 19:43:10 +02:00 |
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Martin Bauernfeind
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60ed524dd8
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Fixed various compiler errors - now there's probably a memory leak remaining
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2022-06-26 18:37:09 +02:00 |
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Martin Bauernfeind
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45f83c7607
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Fixed some struct declaration mistakes
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2022-06-26 17:52:09 +02:00 |
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Martin Bauernfeind
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c49278cb21
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First crude attempt at parallelizing neighborhood computation (only the part after binning the atoms is parallelized with cuda)
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2022-06-26 16:25:59 +02:00 |
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Martin Bauernfeind
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757d4329f3
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Added a rough sketch for the next steps of porting neighborhood computation to cuda
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2022-06-23 23:58:15 +02:00 |
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Martin Bauernfeind
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67f9c769ef
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Fixing errors - hopefully it works this time
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2022-06-23 22:25:55 +02:00 |
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Martin Bauernfeind
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b5b4d23c0c
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🐛 further refactoring fixing
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2022-06-23 19:46:29 +02:00 |
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Martin Bauernfeind
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fea1e41daa
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🐛 further refactoring step fixing
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2022-06-23 19:43:36 +02:00 |
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Martin Bauernfeind
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f1998b7acc
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🐛 further refactor step fixing
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2022-06-23 19:39:36 +02:00 |
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Martin Bauernfeind
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2fe3cd80a0
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🐛 further refactor step fixing
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2022-06-23 19:36:59 +02:00 |
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Martin Bauernfeind
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f4313f64e5
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♻️ further refactoring step fixing
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2022-06-23 19:34:16 +02:00 |
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Martin Bauernfeind
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7f068a6959
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♻️ Fixing refactoring step
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2022-06-23 19:32:09 +02:00 |
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Martin Bauernfeind
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62cfc22856
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♻️ Refactoring: pulled definition of the GPU atom and neighbor representation from force.cu and put it into main
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2022-06-23 18:54:56 +02:00 |
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Maximilian Gaul
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b024adaf5b
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Re-measure for 2000 time steps
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2022-02-05 14:13:36 +01:00 |
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Maximilian Gaul
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696e6da01d
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Implement Neighbour list AoS memory layout + performance measurement
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2022-01-31 20:27:59 +01:00 |
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Maximilian Gaul
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b2a6574426
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Remove unnecessary atom force backcopy in computeForce
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2022-01-24 18:09:27 +01:00 |
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Maximilian Gaul
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c4080e866e
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Make integrate kernels aware of neighbour list update
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2022-01-24 18:04:50 +01:00 |
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Maximilian Gaul
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7b592b5fc7
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Moved presentation resources to second presentation
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2022-01-05 12:48:37 +01:00 |
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Maximilian Gaul
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4690542db5
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Added CPU metrics {Cache, FLOPS, L2, L3}, restructured resource folders
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2022-01-05 12:31:47 +01:00 |
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Maximilian Gaul
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8c131a7699
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Reminder for likwid perf measurements
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2022-01-04 13:51:53 +01:00 |
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Maximilian Gaul
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dc4d5f1a9c
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Porting atom velocity memory layout to AoS, porting velocity integration to CUDA, adding measurements + logbook update
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2022-01-01 18:18:12 +01:00 |
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Maximilian Gaul
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50007216ed
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Implemented atom force AoS memory layout, added performance measurements + logbook Update
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2022-01-01 16:09:21 +01:00 |
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Maximilian Gaul
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72e4599acc
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Copy neighbour lists only when reneighbouring happens, added measurements + logbook update
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2022-01-01 12:56:42 +01:00 |
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Maximilian Gaul
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8fa03733e9
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Copy parameters & cutforces threshold only once at the start + measurements
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2021-12-28 16:48:26 +01:00 |
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Maximilian Gaul
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bf1ae3d013
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Removed debug prints, only zero atom forces and not copy them, added measurements
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2021-12-28 16:32:54 +01:00 |
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Maximilian Gaul
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8009b54113
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Trying to debug segfault if cudaMemcpy is limited to neighbour list update
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2021-12-25 15:36:08 +01:00 |
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Maximilian Gaul
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0ea0587442
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Only malloc once at the beginning plus measurement csv
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2021-12-25 13:52:33 +01:00 |
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Maximilian Gaul
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134e3f4b78
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Also pinnend neighbor-struct memory, added additional performance measurements, added nvprof result to logbook
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2021-12-18 15:58:56 +01:00 |
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Maximilian Gaul
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c2bfa3ca3f
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Add scripts for perf measurement, made atom-memory allocation pinnend using 'cudaMallocHost', added measurements for atom pinnend memory
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2021-12-18 13:02:04 +01:00 |
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Maximilian Gaul
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2a099da5b7
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Started cuda profiling, added first result to logbook
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2021-12-03 08:13:43 +01:00 |
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Maximilian Gaul
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7691b23d67
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Measure memory transfer of CPU to GPU, add explanation how to distribute calculation among multiple GPUs
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2021-12-01 17:16:32 +01:00 |
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Maximilian Gaul
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da90466f98
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Added first performance measurements with threads per block from 1 to 32
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2021-11-25 08:09:20 +01:00 |
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Maximilian Gaul
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8f723c1299
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Added command line description of MD-Bench, added memory transfer rate from CPU to GPU to force.cu
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2021-11-23 15:55:23 +01:00 |
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Maximilian Gaul
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0586ef150a
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Fix num of threads instead of num of blocks, add logbook template
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2021-11-15 19:39:09 +01:00 |
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Maximilian Gaul
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2e5d973f7d
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Rough rewrite to execute outer loop of force calculation in parallel, not inner loop
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2021-11-14 10:02:23 +01:00 |
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Maximilian Gaul
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e2fd1a0476
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Fixed bug, results are now equal to master branch (but still slow)
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2021-11-11 21:00:30 +01:00 |
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