Rafael Ravedutti
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ba6785a865
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Allow parameter reading from files and update data
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-03-05 03:21:52 +01:00 |
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Rafael Ravedutti
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aae29a5b5a
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Add code to read GRO files
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-03-03 20:03:33 +01:00 |
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Rafael Ravedutti
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af92800c64
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Add SIMD version with AVX (no AVX2) and XTC output
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-03-02 23:12:04 +01:00 |
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Rafael Ravedutti
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9daf9e5f4d
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Fix exclusion masks and add SIMD debug tools
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-02-02 21:54:18 +01:00 |
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Rafael Ravedutti
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6ad1e58a3e
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Add first kernel using SIMD instrinsics for 4xn cases
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-02-02 18:00:44 +01:00 |
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Rafael Ravedutti
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aa0f4048d0
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Rename default directory to lammps and reorganize gromacs variant steps
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-01-25 21:00:11 +01:00 |
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Rafael Ravedutti
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72730bc27b
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Update Makefile and config.mk
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-01-17 14:16:39 +01:00 |
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Jan Eitzinger
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70e24d7c2c
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Merge branch 'master' of github.com:RRZE-HPC/MD-Bench
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2021-10-26 09:16:31 +02:00 |
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Jan Eitzinger
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3c3d27b48a
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Introduce separate version for traced force routine.
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2021-10-26 09:11:17 +02:00 |
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Rafael Ravedutti
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c46e4ee4df
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Include ATOMS_LOOP_RUNS option in config.mk file
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-12 23:35:58 +02:00 |
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Rafael Ravedutti
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55d346510e
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Compute statistics, useful data volume and cycles per SIMD iteration
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-12 15:04:08 +02:00 |
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Rafael Ravedutti
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9d79f0248f
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Add config option to switch between asm syntaxes
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-08-09 21:37:18 +02:00 |
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Rafael Ravedutti
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d97fc577b0
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Add first version of index and distance tracer
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-07-09 23:49:14 +02:00 |
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Rafael Ravedutti
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4bde1944cf
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Update script for plotting gather data and AOS results for casclakesp2
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-07-01 20:02:59 +02:00 |
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Rafael Ravedutti
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0a2ec6376c
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Add memory tracer and update config.mk with all options
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-06-16 00:56:00 +02:00 |
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Jan Eitzinger
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c6f3f9afa1
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Set ICC as default
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2021-06-11 09:48:41 +02:00 |
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Jan Eitzinger
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b6d4753c2a
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Add LIKWID Option. Allow to overwrite with asm variant.
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2021-06-11 09:38:34 +02:00 |
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Rafael Ravedutti
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78e6e5c773
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Merge master branch into stub
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-04-15 20:12:36 +02:00 |
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Jan Eitzinger
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06ba3b2726
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Restructure timing and instrumentation. Add performance metric.
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2021-04-15 14:55:02 +02:00 |
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Rafael Ravedutti
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706f1c38f2
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Update stubbed force calculation
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-04-07 00:46:51 +02:00 |
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Rafael Ravedutti
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77a0774208
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Improve stubbed force calculation version
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-03-30 22:17:30 +02:00 |
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Jan Eitzinger
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32b23a2ebd
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Set defaults for GCC
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2021-03-24 08:48:27 +01:00 |
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Jan Eitzinger
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d026028439
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Streamline build system
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2021-03-24 08:43:44 +01:00 |
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