moebiusband/MD-Bench
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Commit Graph

  • 1dc6d12f52 Cleanup main Jan Eitzinger 2024-05-15 15:30:11 +0200
  • e60a798f37 Change subtitle in help text Jan Eitzinger 2024-05-15 14:55:09 +0200
  • 7a62c5c1ff Cleanup README Jan Eitzinger 2024-05-15 14:37:40 +0200
  • 8d0a8b5f9c Refactor code Jan Eitzinger 2024-05-15 14:20:40 +0200
  • 9712d7e2c8 Cleanup. Remove copyright year. Reformat. Jan Eitzinger 2024-05-13 12:33:08 +0200
  • 0094c3c4e1 Update neighbor.c MPI JairoBuitrago 2024-04-15 18:12:27 +0200
  • a13a0f3bae Final MPI version JairoBuitrago 2024-04-15 16:53:25 +0200
  • a6a269703d Merge pull request #7 from RRZE-HPC/mucosim23 mucosim23 rafaelravedutti 2024-01-17 15:14:08 +0100
  • 7ee250161a omp_get_max_threads instead of omp_get_num_threads for gcc compiler adaption TejeshPala 2024-01-13 15:09:03 +0100
  • c73efea786 include openmp in ICC TejeshPala 2024-01-11 17:16:17 +0100
  • 4cfa664533 schedule options for force kernels and to print in main fn TejeshPala 2024-01-11 17:09:18 +0100
  • 1837403326 Merge branch 'master' of github.com:RRZE-HPC/MD-Bench Rafael Ravedutti 2023-12-13 10:52:55 +0100
  • 02629612a9 Fix explicit types for CUDA and provide option to write initial state of system Rafael Ravedutti 2023-12-13 10:52:47 +0100
  • ce00aa0042 Merge pull request #6 from RRZE-HPC/mucosim23 TEJESH PALA 2023-11-21 17:11:18 +0100
  • c4e5e87265 omp print threads TejeshPala 2023-11-21 15:31:27 +0100
  • da3b1dd53f Add extended parameter option --param Rafael Ravedutti 2023-11-21 15:27:11 +0100
  • 2f13291817 Change function get_num_threads to get_cuda_num_threads Rafael Ravedutti 2023-11-21 14:40:19 +0100
  • a460fffa19 Fix PBC case Rafael Ravedutti 2023-10-10 12:53:43 +0200
  • 19209bdcce Cleanup and move gather-bench to util folder Jan Eitzinger 2023-08-15 15:21:21 +0200
  • 151f0c0e6f Add extendend param option Rafael Ravedutti 2023-05-29 02:27:32 +0200
  • 924914e4f0 First changes in the supercluster code superclusters Rafael Ravedutti 2023-05-25 01:10:37 +0200
  • 055a009dbd Neighbor list preparation gromacs_gpu_port Andropov Arsenii 2023-05-23 16:25:00 +0200
  • 182c065fe2 Neighbor list preparation Andropov Arsenii 2023-05-09 00:44:37 +0200
  • ee3f6de050 Building of super clusters complete, force computation kernel WIP Andropov Arsenii 2022-12-18 14:28:29 +0100
  • 72f486f9bf Merge branch 'master' of github.com:RRZE-HPC/MD-Bench Rafael Ravedutti 2023-04-09 03:44:53 +0200
  • 8253b31ee0 Include masked out interactions from remainder in atoms_outside_cutoff Rafael Ravedutti 2023-04-09 03:44:21 +0200
  • e206c3566d Merge branch 'master' of github.com:RRZE-HPC/MD-Bench Rafael Ravedutti 2023-04-09 01:23:45 +0200
  • 7ff1673399 Update config.mk with SORT_ATOMS Rafael Ravedutti 2023-04-09 01:23:39 +0200
  • b6982d56f5 Fix atom sorting Rafael Ravedutti 2023-04-09 01:19:12 +0200
  • 1ad981a059 Add static analysis for gromacs-avx2-dp on Zen3 Rafael Ravedutti 2023-04-09 00:07:04 +0200
  • c438fc6832 Fix GROMACS AVX2 code Rafael Ravedutti 2023-04-07 21:54:07 +0200
  • 17e239ed6d Add uiCA reference to its analyses Rafael Ravedutti 2023-04-05 23:58:52 +0200
  • d151b9b3e4 Update scripts with division factor Rafael Ravedutti 2023-04-05 23:56:35 +0200
  • 98257b746c Add scripts to properly generate agr data Rafael Ravedutti 2023-04-05 23:19:48 +0200
  • a101f8588a Add analyses with llvm-mca Rafael Ravedutti 2023-04-05 22:11:55 +0200
  • c14a6b2186 Add outputs for uiCA Rafael Ravedutti 2023-04-05 19:51:09 +0200
  • 300776f512 Add outputs for new analyses Rafael Ravedutti 2023-04-05 19:48:04 +0200
  • 4e5fe27c0f Add object files for new static analyses Rafael Ravedutti 2023-04-05 19:46:05 +0200
  • 989bec2c7d Add first analyses with GROMACS changes Rafael Ravedutti 2023-04-05 02:44:50 +0200
  • 2971ddcc63 Separate log by hostname and allow to set prefetchers to be used Rafael Ravedutti 2023-04-04 21:56:03 +0200
  • 5341938b60 Increase cutoff for Argon case Rafael Ravedutti 2023-04-03 15:06:32 +0200
  • 039de0be99 Fix stubbed versions and debug messages Rafael Ravedutti 2023-03-30 03:49:57 +0200
  • 43259eb3cf Adjust neighbor lists layout to keep neighbor ids contiguous in memory Rafael Ravedutti 2023-03-30 01:57:26 +0200
  • 3eb7170a65 Adapt stubbed version for new neighbor lists in GROMACS Rafael Ravedutti 2023-03-29 21:54:33 +0200
  • 59145644e3 Last changes to 2xnn kernels gromacs_masking Rafael Ravedutti 2023-03-28 23:34:07 +0200
  • 4a460b2c88 Adjust input files indent in output Rafael Ravedutti 2023-03-28 23:04:11 +0200
  • b15aa2f461 Optimize 4xn kernels Rafael Ravedutti 2023-03-28 23:00:21 +0200
  • 5c000444a4 Pre-compute masks for 4xn kernels Rafael Ravedutti 2023-03-28 22:30:30 +0200
  • 04ade6bcec Pre-compute masks for 2xnn kernel with full neighbor-lists Rafael Ravedutti 2023-03-28 19:33:26 +0200
  • 85f1484449 Specialize force kernel when there are no masks to be checked Rafael Ravedutti 2023-03-28 18:04:18 +0200
  • 965fda3879 Pre-compute masks in the same way as in the master branch Rafael Ravedutti 2023-03-28 17:32:42 +0200
  • a86d214c73 Add working version with old masking Rafael Ravedutti 2023-03-28 02:19:46 +0200
  • d138f975f6 Add diagonal checks Rafael Ravedutti 2023-03-23 02:17:27 +0100
  • 296a4c4e01 Set interaction masks as gromacs does Rafael Ravedutti 2023-03-23 00:58:25 +0100
  • f5fd3e265a Merge branch 'master' of github.com:RRZE-HPC/MD-Bench Rafael Ravedutti 2023-03-22 13:50:51 +0100
  • 1fbf9dbdac Update skin for argon case Rafael Ravedutti 2023-03-22 13:50:42 +0100
  • 89e1b9a9b6 Merge branch 'master' of github.com:RRZE-HPC/MD-Bench JanLJL 2023-02-14 14:00:29 +0100
  • 4e99f7a623 fixed wrong markers and added OSACA output for ICX JanLJL 2023-02-14 13:52:59 +0100
  • 4607202752 fix markers for gromacs-icx-avx512-sp Rafael Ravedutti 2023-02-13 16:55:39 +0100
  • 301274c9b6 Merge branch 'master' of github.com:RRZE-HPC/MD-Bench JanLJL 2023-02-13 14:15:17 +0100
  • 95d63334fa added asm files and analysis output JanLJL 2023-02-13 14:15:08 +0100
  • d0277765c3 changed double constants to MD_FLOAT constants JanLJL 2023-02-13 14:13:53 +0100
  • 5814a86125 Small fixes Rafael Ravedutti 2023-02-12 01:44:48 +0100
  • 98583cdade Merge branch 'master' of github.com:RRZE-HPC/MD-Bench JanLJL 2023-02-09 17:33:42 +0100
  • cb5598bc91 added static analysis and likwid files JanLJL 2023-02-09 17:33:22 +0100
  • 3b076cdb49 changed double consts to MD_FLOAT JanLJL 2023-02-09 17:33:07 +0100
  • 122a23e2b8 Fix compilation error when not using explicit SIMD version Rafael Ravedutti 2023-02-07 23:53:32 +0100
  • 32e004944f Fix flags parsing for script Rafael Ravedutti 2023-01-23 22:54:44 +0100
  • 6126d74aa9 Change latency and CFG script to use binary as input Rafael Ravedutti 2023-01-23 22:50:37 +0100
  • 016f07dcaa Merge branch 'master' of github.com:RRZE-HPC/MD-Bench Rafael Ravedutti 2023-01-23 22:13:42 +0100
  • 90f30d26a3 Add lammps-avx512 kernels without correction instructions Rafael Ravedutti 2023-01-23 22:13:33 +0100
  • 01cc05a5d6 Merge pull request #5 from scarboot/master rafaelravedutti 2023-01-22 17:20:02 +0100
  • c61cf9a0ac Move likwid marker calls into OpenMP parallel region Yannick Paschke 2023-01-22 15:31:47 +0100
  • d545ca65d4 Add -xHost option for AVX2 Rafael Ravedutti 2023-01-18 16:39:19 +0100
  • 5833f00894 Change ICX flags based on ISA Rafael Ravedutti 2023-01-16 23:13:40 +0100
  • 8aad7e87a0 Use ISA for GCC flags and change binary and build directory names Rafael Ravedutti 2023-01-16 23:05:21 +0100
  • ffad9d40f3 Use ICC compiler options based on ISA Rafael Ravedutti 2023-01-16 22:45:24 +0100
  • 99da76d59c Add flags with -march=core-avx2 for Milan Rafael Ravedutti 2023-01-11 15:30:26 +0100
  • cfe888c132 Add analysis files from gromacs-avx512-dp with ICX compiler Rafael Ravedutti 2023-01-03 16:14:28 +0100
  • c7b136f629 Fix build directories in .gitignore Rafael Ravedutti 2023-01-03 16:13:26 +0100
  • 07f2f74561 Adjust force_iters stats for 4xN kernel Rafael Ravedutti 2023-01-02 23:57:51 +0100
  • fd368609e8 Remove binaries on cleanall Rafael Ravedutti 2023-01-02 19:15:42 +0100
  • db5f8cf1c6 Update .gitignore Rafael Ravedutti 2023-01-02 19:12:25 +0100
  • f467d10ed3 Add cleanall command for all TAG and OPT_SCHEME variants Rafael Ravedutti 2023-01-02 19:11:05 +0100
  • fe86c948a8 Adjust time and likwid measurements on 4xN kernels Rafael Ravedutti 2023-01-02 14:19:59 +0100
  • ae1cfa2800 Include static_analysis directory Rafael Ravedutti 2023-01-02 14:14:16 +0100
  • e5c233e072 Update script Rafael Ravedutti 2022-12-21 18:04:18 +0100
  • 8d5e10f635 Fix compilation for gromacs-avx512-sp Rafael Ravedutti 2022-12-21 16:19:00 +0100
  • 56ff0d19af Run script with different prefetcher settings and provide better output Rafael Ravedutti 2022-12-20 18:51:54 +0100
  • b20e8c6986 Adjust script for GROMACS scheme Rafael Ravedutti 2022-12-14 17:54:18 +0100
  • 15d43dcce5 Explicitly set half_neigh to zero on stubbed versions Rafael Ravedutti 2022-12-14 17:21:09 +0100
  • 292138b270 Write debug_printf to avoid warnings and fix latency/cfd script Rafael Ravedutti 2022-12-14 16:17:28 +0100
  • 0e952964f7 Update script Rafael Ravedutti 2022-12-13 15:47:17 +0100
  • cd37746d07 Add script to automate latency and CFD evaluation Rafael Ravedutti 2022-12-13 15:35:41 +0100
  • d76d044a00 Update build options for each compiler and include ICX Rafael Ravedutti 2022-12-13 01:06:59 +0100
  • a7cb888517 Fix compilation for ICX compiler Rafael Ravedutti 2022-12-13 00:59:31 +0100
  • 416f042fc0 Fix readline() when fgets returns NULL even on success Rafael Ravedutti 2022-11-30 17:43:35 +0100
  • fa4e38c6c4 Add IACA and stubbed measurements for GROMACS 4x8 FN kernel Rafael Ravedutti 2022-11-18 01:00:20 +0100
  • 04ea1b027e Print kernel and precision info in gromacs-stub Rafael Ravedutti 2022-11-16 16:15:15 +0100
  • 56d9613028 Implement stubbed version for GROMACS Rafael Ravedutti 2022-11-15 16:01:13 +0100