Maximilian Gaul
|
dc4d5f1a9c
|
Porting atom velocity memory layout to AoS, porting velocity integration to CUDA, adding measurements + logbook update
|
2022-01-01 18:18:12 +01:00 |
|
Maximilian Gaul
|
50007216ed
|
Implemented atom force AoS memory layout, added performance measurements + logbook Update
|
2022-01-01 16:09:21 +01:00 |
|
Rafael Ravedutti
|
ec556eb117
|
Add EAM without explicit types and update fp for PBC atoms
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2021-11-03 00:57:24 +01:00 |
|
Rafael Ravedutti
|
40ddc9ad50
|
Fix errors introduced by last changes
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2021-10-26 01:19:11 +02:00 |
|
Rafael Ravedutti
|
4496e91125
|
Add version with explicit types for atoms
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2021-05-19 23:51:02 +02:00 |
|
Rafael Ravedutti
|
4b481bb407
|
Fix macros for AoS
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2021-03-23 16:21:08 +01:00 |
|
Jan Eitzinger
|
6679b6c8aa
|
Simplify macros for data structure access.
Still segvaults for AoS.
|
2021-03-23 09:26:41 +01:00 |
|
Rafael Ravedutti
|
cb0ae2b0bb
|
Replace inline calls by macros
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2021-03-22 21:51:47 +01:00 |
|
Rafael Ravedutti
|
3f7edb5dbf
|
Add support for AoS data layout
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2021-03-20 18:32:50 +01:00 |
|
Jan Eitzinger
|
b39957421c
|
Include Likwid Markers. Allow to switch between SP and DP floats.
|
2020-11-05 12:41:44 +01:00 |
|
Jan Eitzinger
|
a0acce6cb3
|
Switch License to LGPL3
|
2020-08-19 10:47:40 +02:00 |
|
Jan Eitzinger
|
71ea8dbb0e
|
Refactor. Fix bug in atom initialization.
|
2020-08-19 09:00:35 +02:00 |
|
Jan Eitzinger
|
e7869286d7
|
Introduce modular version.
|
2020-08-18 14:27:28 +02:00 |
|