moebiusband73
79e9de019f
Update README.md
2021-05-05 09:58:46 +02:00
moebiusband73
59886dba77
Update README.md
2021-05-05 09:55:22 +02:00
Jan Eitzinger
06ba3b2726
Restructure timing and instrumentation. Add performance metric.
2021-04-15 14:55:02 +02:00
Jan Eitzinger
35273c491b
Introduce generic variant targets
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Change Makefiles to allow multiple binary targets specified by VARIANT
environment variabel. For specified variants a matching main-<VARIANT>.c
source file must be present.
2021-04-12 08:24:27 +02:00
Rafael Ravedutti
77a0774208
Improve stubbed force calculation version
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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
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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
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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
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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.
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Still segvaults for AoS.
2021-03-23 09:26:41 +01:00
Rafael Ravedutti
cb0ae2b0bb
Replace inline calls by macros
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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
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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
