15 Commits

Author SHA1 Message Date
Martin Bauernfeind
7a61cbbabf Instrumented the reneighbor function in order to obtain runtimes of its compontents 2022-07-19 20:38:11 +02:00
Martin Bauernfeind
7bad7e84b6 Fixed compiler errors 2022-07-13 14:52:37 +02:00
Martin Bauernfeind
fb304f240b Small changes in buildNeighbor to initialize the bincount list and other arrays only once 2022-07-13 14:42:34 +02:00
Martin Bauernfeind
f61f59ba3f 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 2022-07-11 00:55:42 +02:00
Martin Bauernfeind
d1c2249b55 Added code to sort the contents of all bins to make it comparable to the CPU version 2022-07-11 00:24:48 +02:00
Martin Bauernfeind
c9db6e45fa Fixed compiler errors 2022-07-10 21:13:37 +02:00
Martin Bauernfeind
0967e8f671 The program now does the binning on the GPU via the binatoms_cuda method 2022-07-10 18:05:06 +02:00
Martin Bauernfeind
fa409c016c Added a struct to contain binning information such as the pointer to bincount and bins - not used yet 2022-07-08 13:52:45 +02:00
Martin Bauernfeind
b65199308d Ported the binatoms method to cuda - not used in the program yet 2022-07-06 01:09:11 +02:00
Martin Bauernfeind
463de5b1ed Ported the updatePbc method to cuda 2022-07-03 19:53:33 +02:00
Martin Bauernfeind
4a32a62a98 🐛 Fixed some bugs - neighborhood computation now seems to be quite fast 2022-06-26 20:19:59 +02:00
Martin Bauernfeind
16e8b76012 Added debug output to find memory leak 2022-06-26 19:43:10 +02:00
Martin Bauernfeind
60ed524dd8 Fixed various compiler errors - now there's probably a memory leak remaining 2022-06-26 18:37:09 +02:00
Martin Bauernfeind
c49278cb21 First crude attempt at parallelizing neighborhood computation (only the part after binning the atoms is parallelized with cuda) 2022-06-26 16:25:59 +02:00
Martin Bauernfeind
757d4329f3 Added a rough sketch for the next steps of porting neighborhood computation to cuda 2022-06-23 23:58:15 +02:00