moebiusband/MD-Bench
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
160 Commits 8 Branches 0 Tags 3.4 MiB
757d4329f3
Commit Graph

27 Commits

Author SHA1 Message Date
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
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
Maximilian Gaul
c2bfa3ca3f Add scripts for perf measurement, made atom-memory allocation pinnend using 'cudaMallocHost', added measurements for atom pinnend memory 2021-12-18 13:02:04 +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
0f1e824507 Fix integration with mass and add VTK output 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2021-10-29 16:52:19 +02:00
Rafael Ravedutti
70cc6aeb19 Add first working version of EAM 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2021-10-26 13:55:14 +02:00
Rafael Ravedutti
99d6a4bdd8 Fix Funcfl reference to avoid segfaults 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2021-10-26 01:40:02 +02:00
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
2dac10469c Add EAM force field 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2021-10-26 00:40:39 +02:00
Rafael Ravedutti
43ba28e130 Add ATOMS_LOOP_RUNS option and statistics to stub variant 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2021-10-12 22:39:54 +02:00
Rafael Ravedutti
55d346510e Compute statistics, useful data volume and cycles per SIMD iteration 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2021-10-12 15:04:08 +02:00
Rafael Ravedutti
f295f54fca Add useful data volume calculation for force kernel 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2021-10-11 16:57:02 +02:00
Rafael Ravedutti
0a2ec6376c Add memory tracer and update config.mk with all options 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2021-06-16 00:56:00 +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
e53d9961ef Fix compilation when INTERNAL_LOOP_NTIMES is not set and create avx512 directory 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2021-05-06 13:59:02 +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
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
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
Jan Eitzinger
ff45b07749 Initial checkin of simplified miniMD port. Does not work yet. 2020-08-11 16:34:22 +02:00