Rafael Ravedutti
|
77a0774208
|
Improve stubbed force calculation version
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2021-03-30 22:17:30 +02:00 |
|
Rafael Ravedutti
|
7efd30791a
|
Add version with stubbed force calculation
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
|
2021-03-30 01:54:56 +02:00 |
|
Jan Eitzinger
|
2bc3120112
|
Put force kernel in separate compilation unit
|
2021-03-25 06:49:28 +01:00 |
|
moebiusband73
|
dcfa1c4135
|
Merge pull request #2 from RRZE-HPC/aos
Aos
|
2021-03-24 08:50:29 +01:00 |
|
Jan Eitzinger
|
32b23a2ebd
|
Set defaults for GCC
|
2021-03-24 08:48:27 +01:00 |
|
Jan Eitzinger
|
d026028439
|
Streamline build system
|
2021-03-24 08:43:44 +01:00 |
|
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
|
fc1fc9fd45
|
Port pbc to new macros. Enable debugging flags.
|
2021-03-23 10:03:55 +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 |
|
moebiusband73
|
b45ab26e03
|
Update README.md
|
2020-09-07 07:42:45 +02:00 |
|
Jan Eitzinger
|
fb0ef3fa12
|
Adapt ICC build config
|
2020-08-19 13:53:44 +02:00 |
|
Jan Eitzinger
|
0fd51e8a9c
|
Add OpenMP parallelization for computeForce.
|
2020-08-19 11:19:16 +02:00 |
|
Jan Eitzinger
|
a0acce6cb3
|
Switch License to LGPL3
|
2020-08-19 10:47:40 +02:00 |
|
Jan Eitzinger
|
414d24d0a9
|
Update README.
|
2020-08-19 10:23:25 +02:00 |
|
moebiusband73
|
c6fa97770a
|
Update README.md
|
2020-08-19 10:08:00 +02:00 |
|
moebiusband73
|
8ae2a6f2f9
|
Update README.md
|
2020-08-19 10:06:26 +02:00 |
|
Jan Eitzinger
|
4994d43883
|
Add documentation for options.
|
2020-08-19 10:04:34 +02:00 |
|
Jan Eitzinger
|
b1f2e23696
|
Fix more bugs. Enable optimization for CLANG.
|
2020-08-19 10:00:19 +02:00 |
|
Jan Eitzinger
|
dcee5f97f2
|
Add timing and result output.
|
2020-08-19 09:22:43 +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 |
|
Jan Eitzinger
|
b2b910ef64
|
Extend README
|
2020-08-17 16:09:40 +02:00 |
|
Jan Eitzinger
|
fdd17bc528
|
Extend README
|
2020-08-17 16:07:58 +02:00 |
|
Jan Eitzinger
|
b20b71ca0b
|
First working code. Clean up.
|
2020-08-17 14:01:46 +02:00 |
|
Jan Eitzinger
|
49cd67f82f
|
Fix bug in ghost atom setup.
|
2020-08-17 13:20:54 +02:00 |
|
Jan Eitzinger
|
24a2e87e7e
|
Fix bug in logic of setupBoundary.
|
2020-08-14 13:51:01 +02:00 |
|
Jan Eitzinger
|
9e7cbf5687
|
Finish border treatment.
|
2020-08-14 09:31:04 +02:00 |
|
Jan Eitzinger
|
7d0c47da72
|
Add alternative for setup of ghost atoms.
|
2020-08-14 08:32:36 +02:00 |
|
Jan Eitzinger
|
a4c2860130
|
Add boundary ghost layer setup without atom relocation.
|
2020-08-13 09:43:29 +02:00 |
|
Jan Eitzinger
|
fb763f0dfc
|
Debug. Runs with wrong temp.
|
2020-08-12 15:38:08 +02:00 |
|
Jan Eitzinger
|
ff45b07749
|
Initial checkin of simplified miniMD port. Does not work yet.
|
2020-08-11 16:34:22 +02:00 |
|
moebiusband73
|
0f4be2a9eb
|
Initial commit
|
2020-07-23 16:41:14 +02:00 |
|