Transcription

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8 B(, ) + + / = B(, ) B( +, ) B(, ) B( +, ) B( + +, ) B( +, ) B( +, ) B( +, ) B( +, )

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10 =

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13 --xoptflags="-g -xmic-avx512 -O3 -mp2opt_hpo_vec_remainder=f" --with-memalign=64 = = ( + + [ ] ) +

14 + σ + σ + = ρ Memory (GBytes) All S z sectors Target S z tot = 0 Time elapsed (s) All S z sectors S z tot = 0 TruncateOperators GetRotationMatrices BuildReducedDMs SolveGroundState BuildSuperBlock BuildBlockRight BuildBlockLeft All S z sectors S z tot = 0 0 Matrix Vector Direct Solver Object Type 0 4 (272) 8 (544) Number of nodes (Number of processes)

15 = Time elapsed (s) BDW, m=768 TruncateOperators GetRotationMatrices BuildReducedDMs SolveGroundState BuildSuperBlock BuildBlockRight BuildBlockLeft Time elapsed (s) KNL, m= Number of MPI processes Number of MPI processes =

16 = 1.0 BDW 1.0 KNL Parallel Efficiency Parallel Efficiency m= 768 Total m = 768 BuildSuperBlock m = 768 SolveGroundState Number of MPI processes m= 768 Total m = 768 BuildSuperBlock m = 768 SolveGroundState Number of MPI processes =

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18 = Time elapsed (s) BDW, 36 procs/node, m=1024 Time elapsed (s) BDW, 18 procs/node, m=1024 TruncateOperators GetRotationMatrices BuildReducedDMs SolveGroundState BuildSuperBlock BuildBlockRight BuildBlockLeft (72) 4 (144) 8 (288) 16 (576) 32 (1152) No. of nodes (No. of processes) 0 2 (36) 4 (72) 8 (144) 16 (288) 32 (576) No. of nodes (No. of processes) =

19 = Time elapsed (s) KNL, 68 procs/node, m = 1024 Time elapsed (s) KNL, 34 procs/node, m = 1024 TruncateOperators GetRotationMatrices BuildReducedDMs SolveGroundState BuildSuperBlock BuildBlockRight BuildBlockLeft (136) 4 (272) 8 (544) 16 (1088) 32 (2176) No. of nodes (No. of processes) 0 2 (68) 4 (136) 8 (272) 16 (544) 32 (1088) No. of nodes (No. of processes) =

20 = m=1024 m= ppn, BDW 68 ppn, KNL ppn, BDW 34 ppn, KNL Parallel Efficiency Parallel Efficiency Number of Nodes Number of Nodes =

21 = BDW, 36 procs/node, m = 1536 BDW, 18 procs/node, m = 1536 Time elapsed (s) Time elapsed (s) TruncateOperators GetRotationMatrices BuildReducedDMs SolveGroundState BuildSuperBlock BuildBlockRight BuildBlockLeft (144) 6 (216) 8 (288) 12 (432) 16 (576) 24 (864) 32 (1152) 0 4 (72) 6 (108) 8 (144) 12 (216) 16 (288) 24 (432) 32 (576) No. of nodes (No. of processes) No. of nodes (No. of processes) =

22 = KNL, 68 procs/node, m = 1536 KNL, 34 procs/node, m = 1536 Time elapsed (s) Time elapsed (s) TruncateOperators GetRotationMatrices BuildReducedDMs SolveGroundState BuildSuperBlock BuildBlockRight BuildBlockLeft (408) (544) (816) (1088) (1632) No. of nodes (No. of processes) 32 (2176) 0 6 (204) 8 (272) 12 (408) 16 (544) 24 (816) No. of nodes (No. of processes) 32 (1088) =

23 = m=1536 m= ppn, BDW 68 ppn, KNL ppn, BDW 34 ppn, KNL Parallel Efficiency Parallel Efficiency Number of Nodes Number of Nodes =

24 = BDW, 18 procs/node, m = 2048 KNL, 34 procs/node, m = 2048 Time elapsed (s) Time elapsed (s) TruncateOperators GetRotationMatrices BuildReducedDMs SolveGroundState BuildSuperBlock BuildBlockRight BuildBlockLeft (216) 16 (288) 24 (432) 32 (576) 40 (720) 64 (1152) 0 12 (408) 16 (544) 24 (816) 32 (1088) 40 (1360) 64 (2176) No. of nodes (No. of processes) No. of nodes (No. of processes) =

25 = m= ppn, BDW 34 ppn, KNL Parallel Efficiency Number of Nodes =

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27 Memory / iteration (GBytes) Matrix Direct Solver Vector Others log 2 (mem/gb) log 2 (mem/gb)=2.33log 2 (m) 15.41, R 2 = Number of kept states, m log 2 (m) =,

28 Time elapsed / iteration, t (s) TruncateOperators GetRotationMatrices BuildReducedDMs SolveGroundState BuildSuperBlock BuildBlockRight BuildBlockLeft log 2 (t/s) log 2 (t/s) = 2.67log 2 (m) 20.85, R 2 = Number of kept states, m log 2 (m) =,

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33 MATSHELL memkind

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35 /RevModPhys

36 v2 [cond-mat.str-el]

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38 v4-45m-cache-2_30-ghz

39 ( ) = ( ) = =, ( ) = =,, ρ = ψ ψ ρ ρ ω α α α α= ( ) = ( ) = ψ = ψ = ( )

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41 Time elapsed / iteration, t (s) TruncateOperators GetRotationMatrices BuildReducedDMs SolveGroundState BuildSuperBlock BuildBlockRight BuildBlockLeft Number of kept states, m log 2 (t/s) log 2 (t/s) = 2.75log 2 (m) 23.08, R 2 = log 2 (m)

42 Memory / iteration (GBytes) Matrix Direct Solver Vector Others log 2 (mem/gb) log 2 (mem/gb)=2.57log 2 (m) 18.42, R 2 = Number of kept states, m log 2 (m)

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