Maximilian Gaul
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dc4d5f1a9c
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Porting atom velocity memory layout to AoS, porting velocity integration to CUDA, adding measurements + logbook update
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2022-01-01 18:18:12 +01:00 |
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Maximilian Gaul
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50007216ed
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Implemented atom force AoS memory layout, added performance measurements + logbook Update
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2022-01-01 16:09:21 +01:00 |
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Maximilian Gaul
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c2bfa3ca3f
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Add scripts for perf measurement, made atom-memory allocation pinnend using 'cudaMallocHost', added measurements for atom pinnend memory
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2021-12-18 13:02:04 +01:00 |
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Rafael Ravedutti
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ec556eb117
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Add EAM without explicit types and update fp for PBC atoms
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-11-03 00:57:24 +01:00 |
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Rafael Ravedutti
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0f1e824507
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Fix integration with mass and add VTK output
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-29 16:52:19 +02:00 |
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Rafael Ravedutti
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70cc6aeb19
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Add first working version of EAM
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-26 13:55:14 +02:00 |
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Rafael Ravedutti
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99d6a4bdd8
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Fix Funcfl reference to avoid segfaults
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-26 01:40:02 +02:00 |
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Rafael Ravedutti
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40ddc9ad50
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Fix errors introduced by last changes
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-26 01:19:11 +02:00 |
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Rafael Ravedutti
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2dac10469c
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Add EAM force field
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-26 00:40:39 +02:00 |
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Rafael Ravedutti
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43ba28e130
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Add ATOMS_LOOP_RUNS option and statistics to stub variant
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-12 22:39:54 +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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f295f54fca
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Add useful data volume calculation for force kernel
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-10-11 16:57:02 +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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Rafael Ravedutti
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4496e91125
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Add version with explicit types for atoms
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-05-19 23:51:02 +02:00 |
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Rafael Ravedutti
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e53d9961ef
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Fix compilation when INTERNAL_LOOP_NTIMES is not set and create avx512 directory
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-05-06 13:59:02 +02:00 |
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Rafael Ravedutti
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7efd30791a
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Add version with stubbed force calculation
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-03-30 01:54:56 +02:00 |
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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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Rafael Ravedutti
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4b481bb407
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Fix macros for AoS
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-03-23 16:21:08 +01:00 |
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Jan Eitzinger
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6679b6c8aa
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Simplify macros for data structure access.
Still segvaults for AoS.
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2021-03-23 09:26:41 +01:00 |
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Rafael Ravedutti
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cb0ae2b0bb
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Replace inline calls by macros
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-03-22 21:51:47 +01:00 |
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Rafael Ravedutti
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3f7edb5dbf
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Add support for AoS data layout
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-03-20 18:32:50 +01:00 |
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Jan Eitzinger
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b39957421c
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Include Likwid Markers. Allow to switch between SP and DP floats.
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2020-11-05 12:41:44 +01:00 |
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Jan Eitzinger
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a0acce6cb3
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Switch License to LGPL3
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2020-08-19 10:47:40 +02:00 |
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Jan Eitzinger
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71ea8dbb0e
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Refactor. Fix bug in atom initialization.
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2020-08-19 09:00:35 +02:00 |
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Jan Eitzinger
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e7869286d7
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Introduce modular version.
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2020-08-18 14:27:28 +02:00 |
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Jan Eitzinger
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ff45b07749
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Initial checkin of simplified miniMD port. Does not work yet.
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2020-08-11 16:34:22 +02:00 |
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