moebiusband/MD-Bench
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
310 Commits 8 Branches 0 Tags 3.4 MiB
43259eb3cf
Commit Graph

310 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
Rafael Ravedutti
43259eb3cf Adjust neighbor lists layout to keep neighbor ids contiguous in memory 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-30 01:57:26 +02:00
Rafael Ravedutti
3eb7170a65 Adapt stubbed version for new neighbor lists in GROMACS 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-29 21:54:33 +02:00
Rafael Ravedutti
59145644e3 Last changes to 2xnn kernels 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-28 23:34:07 +02:00
Rafael Ravedutti
4a460b2c88 Adjust input files indent in output 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-28 23:04:11 +02:00
Rafael Ravedutti
b15aa2f461 Optimize 4xn kernels 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-28 23:00:21 +02:00
Rafael Ravedutti
5c000444a4 Pre-compute masks for 4xn kernels 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-28 22:30:30 +02:00
Rafael Ravedutti
04ade6bcec Pre-compute masks for 2xnn kernel with full neighbor-lists 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-28 19:33:26 +02:00
Rafael Ravedutti
85f1484449 Specialize force kernel when there are no masks to be checked 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-28 18:04:18 +02:00
Rafael Ravedutti
965fda3879 Pre-compute masks in the same way as in the master branch 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-28 17:32:42 +02:00
Rafael Ravedutti
a86d214c73 Add working version with old masking 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-28 02:19:46 +02:00
Rafael Ravedutti
d138f975f6 Add diagonal checks 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-23 02:17:27 +01:00
Rafael Ravedutti
296a4c4e01 Set interaction masks as gromacs does 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-23 00:58:25 +01:00
Rafael Ravedutti
f5fd3e265a Merge branch 'master' of github.com:RRZE-HPC/MD-Bench 2023-03-22 13:50:51 +01:00
Rafael Ravedutti
1fbf9dbdac Update skin for argon case 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-03-22 13:50:42 +01:00
JanLJL
89e1b9a9b6 Merge branch 'master' of github.com:RRZE-HPC/MD-Bench 2023-02-14 14:00:29 +01:00
JanLJL
4e99f7a623 fixed wrong markers and added OSACA output for ICX 2023-02-14 13:52:59 +01:00
Rafael Ravedutti
4607202752 fix markers for gromacs-icx-avx512-sp 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-02-13 16:55:39 +01:00
JanLJL
301274c9b6 Merge branch 'master' of github.com:RRZE-HPC/MD-Bench 2023-02-13 14:15:17 +01:00
JanLJL
95d63334fa added asm files and analysis output 2023-02-13 14:15:08 +01:00
JanLJL
d0277765c3 changed double constants to MD_FLOAT constants 2023-02-13 14:13:53 +01:00
Rafael Ravedutti
5814a86125 Small fixes 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-02-12 01:44:48 +01:00
JanLJL
98583cdade Merge branch 'master' of github.com:RRZE-HPC/MD-Bench 2023-02-09 17:33:42 +01:00
JanLJL
cb5598bc91 added static analysis and likwid files 2023-02-09 17:33:22 +01:00
JanLJL
3b076cdb49 changed double consts to MD_FLOAT 2023-02-09 17:33:07 +01:00
Rafael Ravedutti
122a23e2b8 Fix compilation error when not using explicit SIMD version 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-02-07 23:53:32 +01:00
Rafael Ravedutti
32e004944f Fix flags parsing for script 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-23 22:54:44 +01:00
Rafael Ravedutti
6126d74aa9 Change latency and CFG script to use binary as input 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-23 22:50:37 +01:00
Rafael Ravedutti
016f07dcaa Merge branch 'master' of github.com:RRZE-HPC/MD-Bench 2023-01-23 22:13:42 +01:00
Rafael Ravedutti
90f30d26a3 Add lammps-avx512 kernels without correction instructions 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-23 22:13:33 +01:00
rafaelravedutti
01cc05a5d6 Merge pull request #5 from scarboot/master 
Move likwid marker calls into OpenMP parallel region
 2023-01-22 17:20:02 +01:00
Yannick Paschke
c61cf9a0ac Move likwid marker calls into OpenMP parallel region 2023-01-22 15:33:05 +01:00
Rafael Ravedutti
d545ca65d4 Add -xHost option for AVX2 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-18 16:39:19 +01:00
Rafael Ravedutti
5833f00894 Change ICX flags based on ISA 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-16 23:13:40 +01:00
Rafael Ravedutti
8aad7e87a0 Use ISA for GCC flags and change binary and build directory names 
Signed-off-by: Rafael Ravedutti <rafael.r.ravedutti@fau.de>
 2023-01-16 23:05:21 +01:00
Rafael Ravedutti
ffad9d40f3 Use ICC compiler options based on ISA 
Signed-off-by: Rafael Ravedutti <rafael.r.ravedutti@fau.de>
 2023-01-16 22:45:24 +01:00
Rafael Ravedutti
99da76d59c Add flags with -march=core-avx2 for Milan 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-11 15:30:26 +01:00
Rafael Ravedutti
cfe888c132 Add analysis files from gromacs-avx512-dp with ICX compiler 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-03 16:14:28 +01:00
Rafael Ravedutti
c7b136f629 Fix build directories in .gitignore 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-03 16:13:26 +01:00
Rafael Ravedutti
07f2f74561 Adjust force_iters stats for 4xN kernel 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-02 23:57:51 +01:00
Rafael Ravedutti
fd368609e8 Remove binaries on cleanall 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-02 19:15:42 +01:00
Rafael Ravedutti
db5f8cf1c6 Update .gitignore 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-02 19:12:25 +01:00
Rafael Ravedutti
f467d10ed3 Add cleanall command for all TAG and OPT_SCHEME variants 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-02 19:11:05 +01:00
Rafael Ravedutti
fe86c948a8 Adjust time and likwid measurements on 4xN kernels 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-02 14:19:59 +01:00
Rafael Ravedutti
ae1cfa2800 Include static_analysis directory 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2023-01-02 14:14:16 +01:00
Rafael Ravedutti
e5c233e072 Update script 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2022-12-21 18:04:18 +01:00
Rafael Ravedutti
8d5e10f635 Fix compilation for gromacs-avx512-sp 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2022-12-21 16:19:00 +01:00
Rafael Ravedutti
56ff0d19af Run script with different prefetcher settings and provide better output 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2022-12-20 18:51:54 +01:00
Rafael Ravedutti
b20e8c6986 Adjust script for GROMACS scheme 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2022-12-14 17:54:18 +01:00
Rafael Ravedutti
15d43dcce5 Explicitly set half_neigh to zero on stubbed versions 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2022-12-14 17:21:09 +01:00
Rafael Ravedutti
292138b270 Write debug_printf to avoid warnings and fix latency/cfd script 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
 2022-12-14 16:17:28 +01:00