Rafael Ravedutti
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2e77f6207b
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Avoid errors when compiling for AVX2 due to SIMD LJ implementation
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-07-19 02:30:26 +02:00 |
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Rafael Ravedutti
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ab2eb1ff50
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Write LAMMPS kernel with SIMD intrinsics and implement AVX512 with double-precision functions
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-04-05 02:57:23 +02:00 |
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Rafael Ravedutti
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f3263a2d48
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Separate simd file into multiple files
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-03-16 14:52:55 +01:00 |
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Rafael Ravedutti
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d61576699d
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Add first compilable version of Gromacs with SP
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-03-15 02:40:56 +01:00 |
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Rafael Ravedutti
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2b441e691e
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Make code compilable
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-03-09 17:23:49 +01:00 |
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Rafael Ravedutti
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c7360305c8
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Add first draft version of GROMACS method separating i-clusters and j-clusters
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-03-09 02:25:39 +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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cdb1d5b9f1
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Add version with AVX2 intrinsics for gromacs scheme
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-02-04 17:52:48 +01:00 |
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Rafael Ravedutti
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6e6a3f6502
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Use aligned loads when gathering j atoms
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-02-04 14:29:32 +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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