Reduce allocations in `ReducedDensityMatrix` #295

joachimbrand · 2024-11-15T04:02:46Z

New features

New function sum_mutating! allows parallel reductions from PDVecs over vector-valued results while minimizing allocations.

Changed behavior

Allocations and GC load is reduced leading to a 1.5x speedup when calculating a dot product with a ReducedDensityMatrix(2) on four threads.

Old code:

julia> @benchmark dot($v2, $rdmop, $v2)
BenchmarkTools.Trial: 6 samples with 1 evaluation.
 Range (min … max):  843.080 ms … 953.016 ms  ┊ GC (min … max): 15.06% … 20.26%
 Time  (median):     900.043 ms               ┊ GC (median):    18.58%
 Time  (mean ± σ):   900.078 ms ±  44.495 ms  ┊ GC (mean ± σ):  18.69% ±  2.93%

  █           █     █                          █      █       █  
  █▁▁▁▁▁▁▁▁▁▁▁█▁▁▁▁▁█▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁█▁▁▁▁▁▁█▁▁▁▁▁▁▁█ ▁
  843 ms           Histogram: frequency by time          953 ms <

 Memory estimate: 2.76 GiB, allocs estimate: 77248.

New code (this PR):

julia> @benchmark dot($v2, $rdmop, $v2)
BenchmarkTools.Trial: 9 samples with 1 evaluation.
 Range (min … max):  516.414 ms … 615.814 ms  ┊ GC (min … max): 0.00% … 0.00%
 Time  (median):     593.440 ms               ┊ GC (median):    0.00%
 Time  (mean ± σ):   587.321 ms ±  30.741 ms  ┊ GC (mean ± σ):  0.00% ± 0.00%

  █                                  █  █  █     █   █      ███  
  █▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁█▁▁█▁▁█▁▁▁▁▁█▁▁▁█▁▁▁▁▁▁███ ▁
  516 ms           Histogram: frequency by time          616 ms <

 Memory estimate: 1.10 MiB, allocs estimate: 55.

julia> length(v2)
12870

github-actions · 2024-11-15T04:26:56Z

Benchmark result

Judge result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Time of benchmarks:

Target: 15 Nov 2024 - 04:16
Baseline: 15 Nov 2024 - 04:26

Package commits:

Target: b8b912
Baseline: 39e660

Julia commits:

Target: 8f5b7c
Baseline: 8f5b7c

Julia command flags:

Target: None
Baseline: None

Environment variables:

Target: None
Baseline: None

Results

A ratio greater than 1.0 denotes a possible regression (marked with ❌), while a ratio less
than 1.0 denotes a possible improvement (marked with ✅). Only significant results - results
that indicate possible regressions or improvements - are shown below (thus, an empty table means that all
benchmark results remained invariant between builds).

ID	time ratio	memory ratio

Benchmark Group List

Here's a list of all the benchmark groups executed by this job:

["Rimu", "Exact", "Diagonalization"]
["Rimu", "Exact", "Multiplication"]
["Rimu", "FCIQMC"]

Julia versioninfo

Target

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 2518 s 0 s 144 s 6826 s 0 s
 #2 0 MHz 3138 s 0 s 158 s 6229 s 0 s
 #3 0 MHz 2497 s 0 s 160 s 6843 s 0 s
 #4 0 MHz 2456 s 0 s 173 s 6862 s 0 s
 Memory: 15.606491088867188 GB (13341.10546875 MB free)
 Uptime: 957.14 sec
 Load Avg: 1.02 1.12 0.87
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Baseline

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 3539 s 0 s 179 s 11919 s 0 s
 #2 0 MHz 5656 s 0 s 188 s 9832 s 0 s
 #3 0 MHz 3800 s 0 s 206 s 11644 s 0 s
 #4 0 MHz 3773 s 0 s 212 s 11656 s 0 s
 Memory: 15.606491088867188 GB (13428.99609375 MB free)
 Uptime: 1573.18 sec
 Load Avg: 1.01 1.03 0.97
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Target result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Time of benchmark: 15 Nov 2024 - 4:16
Package commit: b8b912
Julia commit: 8f5b7c
Julia command flags: None
Environment variables: None

Results

Below is a table of this job's results, obtained by running the benchmarks.
The values listed in the ID column have the structure [parent_group, child_group, ..., key], and can be used to
index into the BaseBenchmarks suite to retrieve the corresponding benchmarks.
The percentages accompanying time and memory values in the below table are noise tolerances. The "true"
time/memory value for a given benchmark is expected to fall within this percentage of the reported value.
An empty cell means that the value was zero.

ID	time	GC time	memory	allocations
`["Rimu", "Exact", "Diagonalization", "2D Hubbard"]`	1.925 s (5%)	1.402 ms	93.58 MiB (1%)	24260
`["Rimu", "Exact", "Diagonalization", "Bose-Hubbard in momentum space"]`	17.501 s (5%)	33.535 ms	366.83 MiB (1%)	2038836
`["Rimu", "Exact", "Multiplication", "Momentum space"]`	787.947 ms (5%)		10.92 MiB (1%)	284
`["Rimu", "Exact", "Multiplication", "Transcorrelated"]`	2.349 s (5%)		1.87 MiB (1%)	291
`["Rimu", "FCIQMC", "(10, 20) Mom space with projected energy and initiator"]`	27.728 s (5%)		59.95 MiB (1%)	1925009
`["Rimu", "FCIQMC", "(4+1, 11) 2C Mom space with G2Correlators"]`	24.846 s (5%)		30.12 MiB (1%)	830469
`["Rimu", "FCIQMC", "(50, 50) Real space"]`	21.308 s (5%)		29.36 MiB (1%)	138048

Benchmark Group List

Here's a list of all the benchmark groups executed by this job:

["Rimu", "Exact", "Diagonalization"]
["Rimu", "Exact", "Multiplication"]
["Rimu", "FCIQMC"]

Julia versioninfo

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 2518 s 0 s 144 s 6826 s 0 s
 #2 0 MHz 3138 s 0 s 158 s 6229 s 0 s
 #3 0 MHz 2497 s 0 s 160 s 6843 s 0 s
 #4 0 MHz 2456 s 0 s 173 s 6862 s 0 s
 Memory: 15.606491088867188 GB (13341.10546875 MB free)
 Uptime: 957.14 sec
 Load Avg: 1.02 1.12 0.87
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Baseline result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Time of benchmark: 15 Nov 2024 - 4:26
Package commit: 39e660
Julia commit: 8f5b7c
Julia command flags: None
Environment variables: None

Results

Below is a table of this job's results, obtained by running the benchmarks.
The values listed in the ID column have the structure [parent_group, child_group, ..., key], and can be used to
index into the BaseBenchmarks suite to retrieve the corresponding benchmarks.
The percentages accompanying time and memory values in the below table are noise tolerances. The "true"
time/memory value for a given benchmark is expected to fall within this percentage of the reported value.
An empty cell means that the value was zero.

ID	time	GC time	memory	allocations
`["Rimu", "Exact", "Diagonalization", "2D Hubbard"]`	1.901 s (5%)	1.803 ms	93.58 MiB (1%)	24260
`["Rimu", "Exact", "Diagonalization", "Bose-Hubbard in momentum space"]`	17.800 s (5%)	206.227 ms	366.83 MiB (1%)	2038836
`["Rimu", "Exact", "Multiplication", "Momentum space"]`	788.838 ms (5%)		10.92 MiB (1%)	284
`["Rimu", "Exact", "Multiplication", "Transcorrelated"]`	2.312 s (5%)		1.87 MiB (1%)	291
`["Rimu", "FCIQMC", "(10, 20) Mom space with projected energy and initiator"]`	28.029 s (5%)		59.96 MiB (1%)	1925282
`["Rimu", "FCIQMC", "(4+1, 11) 2C Mom space with G2Correlators"]`	24.120 s (5%)		30.12 MiB (1%)	830455
`["Rimu", "FCIQMC", "(50, 50) Real space"]`	21.350 s (5%)	49.499 ms	29.36 MiB (1%)	138066

Benchmark Group List

Here's a list of all the benchmark groups executed by this job:

["Rimu", "Exact", "Diagonalization"]
["Rimu", "Exact", "Multiplication"]
["Rimu", "FCIQMC"]

Julia versioninfo

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 3539 s 0 s 179 s 11919 s 0 s
 #2 0 MHz 5656 s 0 s 188 s 9832 s 0 s
 #3 0 MHz 3800 s 0 s 206 s 11644 s 0 s
 #4 0 MHz 3773 s 0 s 212 s 11656 s 0 s
 Memory: 15.606491088867188 GB (13428.99609375 MB free)
 Uptime: 1573.18 sec
 Load Avg: 1.01 1.03 0.97
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Runtime information

Runtime Info
BLAS #threads	2
`BLAS.vendor()`	`lbt`
`Sys.CPU_THREADS`	4

lscpu output:

Architecture: x86_64
CPU op-mode(s): 32-bit, 64-bit
Address sizes: 48 bits physical, 48 bits virtual
Byte Order: Little Endian
CPU(s): 4
On-line CPU(s) list: 0-3
Vendor ID: AuthenticAMD
Model name: AMD EPYC 7763 64-Core Processor
CPU family: 25
Model: 1
Thread(s) per core: 2
Core(s) per socket: 2
Socket(s): 1
Stepping: 1
BogoMIPS: 4890.85
Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ht syscall nx mmxext fxsr_opt pdpe1gb rdtscp lm constant_tsc rep_good nopl tsc_reliable nonstop_tsc cpuid extd_apicid aperfmperf pni pclmulqdq ssse3 fma cx16 pcid sse4_1 sse4_2 movbe popcnt aes xsave avx f16c rdrand hypervisor lahf_lm cmp_legacy svm cr8_legacy abm sse4a misalignsse 3dnowprefetch osvw topoext invpcid_single vmmcall fsgsbase bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves clzero xsaveerptr rdpru arat npt nrip_save tsc_scale vmcb_clean flushbyasid decodeassists pausefilter pfthreshold v_vmsave_vmload umip vaes vpclmulqdq rdpid fsrm
Virtualization: AMD-V
Hypervisor vendor: Microsoft
Virtualization type: full
L1d cache: 64 KiB (2 instances)
L1i cache: 64 KiB (2 instances)
L2 cache: 1 MiB (2 instances)
L3 cache: 32 MiB (1 instance)
NUMA node(s): 1
NUMA node0 CPU(s): 0-3
Vulnerability Gather data sampling: Not affected
Vulnerability Itlb multihit: Not affected
Vulnerability L1tf: Not affected
Vulnerability Mds: Not affected
Vulnerability Meltdown: Not affected
Vulnerability Mmio stale data: Not affected
Vulnerability Retbleed: Not affected
Vulnerability Spec rstack overflow: Vulnerable: Safe RET, no microcode
Vulnerability Spec store bypass: Vulnerable
Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization
Vulnerability Spectre v2: Mitigation; Retpolines; STIBP disabled; RSB filling; PBRSB-eIBRS Not affected; BHI Not affected
Vulnerability Srbds: Not affected
Vulnerability Tsx async abort: Not affected

Cpu Property	Value
Brand	AMD EPYC 7763 64-Core Processor
Vendor	:AMD
Architecture	:Unknown
Model	Family: 0xaf, Model: 0x01, Stepping: 0x01, Type: 0x00
Cores	16 physical cores, 16 logical cores (on executing CPU)
	No Hyperthreading hardware capability detected
Clock Frequencies	Not supported by CPU
Data Cache	Level 1:3 : (32, 512, 32768) kbytes
	64 byte cache line size
Address Size	48 bits virtual, 48 bits physical
SIMD	256 bit = 32 byte max. SIMD vector size
Time Stamp Counter	TSC is accessible via `rdtsc`
	TSC runs at constant rate (invariant from clock frequency)
Perf. Monitoring	Performance Monitoring Counters (PMC) are not supported
Hypervisor	Yes, Microsoft

Benchmark result

Judge result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Time of benchmarks:

Target: 15 Nov 2024 - 04:46
Baseline: 15 Nov 2024 - 04:56

Package commits:

Target: d3ffa2
Baseline: 39e660

Julia commits:

Target: 8f5b7c
Baseline: 8f5b7c

Julia command flags:

Target: None
Baseline: None

Environment variables:

Target: None
Baseline: None

Results

A ratio greater than 1.0 denotes a possible regression (marked with ❌), while a ratio less
than 1.0 denotes a possible improvement (marked with ✅). Only significant results - results
that indicate possible regressions or improvements - are shown below (thus, an empty table means that all
benchmark results remained invariant between builds).

ID	time ratio	memory ratio

Benchmark Group List

Here's a list of all the benchmark groups executed by this job:

["Rimu", "Exact", "Diagonalization"]
["Rimu", "Exact", "Multiplication"]
["Rimu", "FCIQMC"]

Julia versioninfo

Target

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 1048 s 0 s 99 s 7262 s 0 s
 #2 0 MHz 709 s 0 s 108 s 7590 s 0 s
 #3 0 MHz 2096 s 0 s 106 s 6208 s 0 s
 #4 0 MHz 2950 s 0 s 97 s 5362 s 0 s
 Memory: 15.606491088867188 GB (13328.57421875 MB free)
 Uptime: 845.07 sec
 Load Avg: 1.0 0.95 0.6
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Baseline

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 2129 s 0 s 152 s 12214 s 0 s
 #2 0 MHz 1270 s 0 s 162 s 13058 s 0 s
 #3 0 MHz 3797 s 0 s 142 s 10559 s 0 s
 #4 0 MHz 5712 s 0 s 127 s 8659 s 0 s
 Memory: 15.606491088867188 GB (13391.9453125 MB free)
 Uptime: 1454.77 sec
 Load Avg: 1.01 1.01 0.83
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Target result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Time of benchmark: 15 Nov 2024 - 4:46
Package commit: d3ffa2
Julia commit: 8f5b7c
Julia command flags: None
Environment variables: None

Results

Below is a table of this job's results, obtained by running the benchmarks.
The values listed in the ID column have the structure [parent_group, child_group, ..., key], and can be used to
index into the BaseBenchmarks suite to retrieve the corresponding benchmarks.
The percentages accompanying time and memory values in the below table are noise tolerances. The "true"
time/memory value for a given benchmark is expected to fall within this percentage of the reported value.
An empty cell means that the value was zero.

ID	time	GC time	memory	allocations
`["Rimu", "Exact", "Diagonalization", "2D Hubbard"]`	1.893 s (5%)	1.503 ms	93.58 MiB (1%)	24260
`["Rimu", "Exact", "Diagonalization", "Bose-Hubbard in momentum space"]`	17.704 s (5%)	232.075 ms	366.83 MiB (1%)	2038836
`["Rimu", "Exact", "Multiplication", "Momentum space"]`	809.309 ms (5%)		10.92 MiB (1%)	284
`["Rimu", "Exact", "Multiplication", "Transcorrelated"]`	2.328 s (5%)		1.87 MiB (1%)	291
`["Rimu", "FCIQMC", "(10, 20) Mom space with projected energy and initiator"]`	27.912 s (5%)		59.95 MiB (1%)	1925176
`["Rimu", "FCIQMC", "(4+1, 11) 2C Mom space with G2Correlators"]`	25.101 s (5%)		30.12 MiB (1%)	830473
`["Rimu", "FCIQMC", "(50, 50) Real space"]`	21.914 s (5%)		29.36 MiB (1%)	138058

Benchmark Group List

Here's a list of all the benchmark groups executed by this job:

["Rimu", "Exact", "Diagonalization"]
["Rimu", "Exact", "Multiplication"]
["Rimu", "FCIQMC"]

Julia versioninfo

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 1048 s 0 s 99 s 7262 s 0 s
 #2 0 MHz 709 s 0 s 108 s 7590 s 0 s
 #3 0 MHz 2096 s 0 s 106 s 6208 s 0 s
 #4 0 MHz 2950 s 0 s 97 s 5362 s 0 s
 Memory: 15.606491088867188 GB (13328.57421875 MB free)
 Uptime: 845.07 sec
 Load Avg: 1.0 0.95 0.6
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Baseline result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Time of benchmark: 15 Nov 2024 - 4:56
Package commit: 39e660
Julia commit: 8f5b7c
Julia command flags: None
Environment variables: None

Results

Below is a table of this job's results, obtained by running the benchmarks.
The values listed in the ID column have the structure [parent_group, child_group, ..., key], and can be used to
index into the BaseBenchmarks suite to retrieve the corresponding benchmarks.
The percentages accompanying time and memory values in the below table are noise tolerances. The "true"
time/memory value for a given benchmark is expected to fall within this percentage of the reported value.
An empty cell means that the value was zero.

ID	time	GC time	memory	allocations
`["Rimu", "Exact", "Diagonalization", "2D Hubbard"]`	1.839 s (5%)	3.085 ms	93.58 MiB (1%)	24260
`["Rimu", "Exact", "Diagonalization", "Bose-Hubbard in momentum space"]`	17.642 s (5%)	246.591 ms	366.83 MiB (1%)	2038836
`["Rimu", "Exact", "Multiplication", "Momentum space"]`	813.036 ms (5%)		10.92 MiB (1%)	284
`["Rimu", "Exact", "Multiplication", "Transcorrelated"]`	2.331 s (5%)		1.87 MiB (1%)	291
`["Rimu", "FCIQMC", "(10, 20) Mom space with projected energy and initiator"]`	27.939 s (5%)		59.95 MiB (1%)	1925180
`["Rimu", "FCIQMC", "(4+1, 11) 2C Mom space with G2Correlators"]`	25.473 s (5%)		30.12 MiB (1%)	830446
`["Rimu", "FCIQMC", "(50, 50) Real space"]`	21.453 s (5%)	16.494 ms	29.36 MiB (1%)	138050

Benchmark Group List

Here's a list of all the benchmark groups executed by this job:

["Rimu", "Exact", "Diagonalization"]
["Rimu", "Exact", "Multiplication"]
["Rimu", "FCIQMC"]

Julia versioninfo

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 2129 s 0 s 152 s 12214 s 0 s
 #2 0 MHz 1270 s 0 s 162 s 13058 s 0 s
 #3 0 MHz 3797 s 0 s 142 s 10559 s 0 s
 #4 0 MHz 5712 s 0 s 127 s 8659 s 0 s
 Memory: 15.606491088867188 GB (13391.9453125 MB free)
 Uptime: 1454.77 sec
 Load Avg: 1.01 1.01 0.83
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Runtime information

Runtime Info
BLAS #threads	2
`BLAS.vendor()`	`lbt`
`Sys.CPU_THREADS`	4

lscpu output:

Architecture: x86_64
CPU op-mode(s): 32-bit, 64-bit
Address sizes: 48 bits physical, 48 bits virtual
Byte Order: Little Endian
CPU(s): 4
On-line CPU(s) list: 0-3
Vendor ID: AuthenticAMD
Model name: AMD EPYC 7763 64-Core Processor
CPU family: 25
Model: 1
Thread(s) per core: 2
Core(s) per socket: 2
Socket(s): 1
Stepping: 1
BogoMIPS: 4890.85
Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ht syscall nx mmxext fxsr_opt pdpe1gb rdtscp lm constant_tsc rep_good nopl tsc_reliable nonstop_tsc cpuid extd_apicid aperfmperf pni pclmulqdq ssse3 fma cx16 pcid sse4_1 sse4_2 movbe popcnt aes xsave avx f16c rdrand hypervisor lahf_lm cmp_legacy svm cr8_legacy abm sse4a misalignsse 3dnowprefetch osvw topoext invpcid_single vmmcall fsgsbase bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves clzero xsaveerptr rdpru arat npt nrip_save tsc_scale vmcb_clean flushbyasid decodeassists pausefilter pfthreshold v_vmsave_vmload umip vaes vpclmulqdq rdpid fsrm
Virtualization: AMD-V
Hypervisor vendor: Microsoft
Virtualization type: full
L1d cache: 64 KiB (2 instances)
L1i cache: 64 KiB (2 instances)
L2 cache: 1 MiB (2 instances)
L3 cache: 32 MiB (1 instance)
NUMA node(s): 1
NUMA node0 CPU(s): 0-3
Vulnerability Gather data sampling: Not affected
Vulnerability Itlb multihit: Not affected
Vulnerability L1tf: Not affected
Vulnerability Mds: Not affected
Vulnerability Meltdown: Not affected
Vulnerability Mmio stale data: Not affected
Vulnerability Retbleed: Not affected
Vulnerability Spec rstack overflow: Vulnerable: Safe RET, no microcode
Vulnerability Spec store bypass: Vulnerable
Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization
Vulnerability Spectre v2: Mitigation; Retpolines; STIBP disabled; RSB filling; PBRSB-eIBRS Not affected; BHI Not affected
Vulnerability Srbds: Not affected
Vulnerability Tsx async abort: Not affected

Cpu Property	Value
Brand	AMD EPYC 7763 64-Core Processor
Vendor	:AMD
Architecture	:Unknown
Model	Family: 0xaf, Model: 0x01, Stepping: 0x01, Type: 0x00
Cores	16 physical cores, 16 logical cores (on executing CPU)
	No Hyperthreading hardware capability detected
Clock Frequencies	Not supported by CPU
Data Cache	Level 1:3 : (32, 512, 32768) kbytes
	64 byte cache line size
Address Size	48 bits virtual, 48 bits physical
SIMD	256 bit = 32 byte max. SIMD vector size
Time Stamp Counter	TSC is accessible via `rdtsc`
	TSC runs at constant rate (invariant from clock frequency)
Perf. Monitoring	Performance Monitoring Counters (PMC) are not supported
Hypervisor	Yes, Microsoft

Benchmark result

Judge result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Time of benchmarks:

Target: 15 Nov 2024 - 05:00
Baseline: 15 Nov 2024 - 05:11

Package commits:

Target: 6e7308
Baseline: 39e660

Julia commits:

Target: 8f5b7c
Baseline: 8f5b7c

Julia command flags:

Target: None
Baseline: None

Environment variables:

Target: None
Baseline: None

Results

A ratio greater than 1.0 denotes a possible regression (marked with ❌), while a ratio less
than 1.0 denotes a possible improvement (marked with ✅). Only significant results - results
that indicate possible regressions or improvements - are shown below (thus, an empty table means that all
benchmark results remained invariant between builds).

ID	time ratio	memory ratio

Benchmark Group List

Here's a list of all the benchmark groups executed by this job:

["Rimu", "Exact", "Diagonalization"]
["Rimu", "Exact", "Multiplication"]
["Rimu", "FCIQMC"]

Julia versioninfo

Target

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 934 s 0 s 96 s 6216 s 0 s
 #2 0 MHz 1430 s 0 s 100 s 5714 s 0 s
 #3 0 MHz 2059 s 0 s 86 s 5054 s 0 s
 #4 0 MHz 2226 s 0 s 75 s 4944 s 0 s
 Memory: 15.606491088867188 GB (13326.40625 MB free)
 Uptime: 728.23 sec
 Load Avg: 1.05 0.95 0.56
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Baseline

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 1751 s 0 s 130 s 11409 s 0 s
 #2 0 MHz 1866 s 0 s 149 s 11274 s 0 s
 #3 0 MHz 3583 s 0 s 121 s 9543 s 0 s
 #4 0 MHz 5509 s 0 s 100 s 7687 s 0 s
 Memory: 15.606491088867188 GB (13333.6875 MB free)
 Uptime: 1333.85 sec
 Load Avg: 1.0 1.0 0.8
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Target result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Time of benchmark: 15 Nov 2024 - 5:0
Package commit: 6e7308
Julia commit: 8f5b7c
Julia command flags: None
Environment variables: None

Results

Below is a table of this job's results, obtained by running the benchmarks.
The values listed in the ID column have the structure [parent_group, child_group, ..., key], and can be used to
index into the BaseBenchmarks suite to retrieve the corresponding benchmarks.
The percentages accompanying time and memory values in the below table are noise tolerances. The "true"
time/memory value for a given benchmark is expected to fall within this percentage of the reported value.
An empty cell means that the value was zero.

ID	time	GC time	memory	allocations
`["Rimu", "Exact", "Diagonalization", "2D Hubbard"]`	1.889 s (5%)	4.173 ms	93.58 MiB (1%)	24260
`["Rimu", "Exact", "Diagonalization", "Bose-Hubbard in momentum space"]`	17.657 s (5%)	34.384 ms	366.83 MiB (1%)	2038836
`["Rimu", "Exact", "Multiplication", "Momentum space"]`	794.207 ms (5%)		10.92 MiB (1%)	284
`["Rimu", "Exact", "Multiplication", "Transcorrelated"]`	2.321 s (5%)		1.87 MiB (1%)	291
`["Rimu", "FCIQMC", "(10, 20) Mom space with projected energy and initiator"]`	27.592 s (5%)		59.95 MiB (1%)	1924988
`["Rimu", "FCIQMC", "(4+1, 11) 2C Mom space with G2Correlators"]`	23.832 s (5%)		30.23 MiB (1%)	830480
`["Rimu", "FCIQMC", "(50, 50) Real space"]`	21.344 s (5%)		29.36 MiB (1%)	138064

Benchmark Group List

Here's a list of all the benchmark groups executed by this job:

["Rimu", "Exact", "Diagonalization"]
["Rimu", "Exact", "Multiplication"]
["Rimu", "FCIQMC"]

Julia versioninfo

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 934 s 0 s 96 s 6216 s 0 s
 #2 0 MHz 1430 s 0 s 100 s 5714 s 0 s
 #3 0 MHz 2059 s 0 s 86 s 5054 s 0 s
 #4 0 MHz 2226 s 0 s 75 s 4944 s 0 s
 Memory: 15.606491088867188 GB (13326.40625 MB free)
 Uptime: 728.23 sec
 Load Avg: 1.05 0.95 0.56
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Baseline result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Time of benchmark: 15 Nov 2024 - 5:11
Package commit: 39e660
Julia commit: 8f5b7c
Julia command flags: None
Environment variables: None

Results

Below is a table of this job's results, obtained by running the benchmarks.
The values listed in the ID column have the structure [parent_group, child_group, ..., key], and can be used to
index into the BaseBenchmarks suite to retrieve the corresponding benchmarks.
The percentages accompanying time and memory values in the below table are noise tolerances. The "true"
time/memory value for a given benchmark is expected to fall within this percentage of the reported value.
An empty cell means that the value was zero.

ID	time	GC time	memory	allocations
`["Rimu", "Exact", "Diagonalization", "2D Hubbard"]`	1.920 s (5%)	4.284 ms	93.58 MiB (1%)	24260
`["Rimu", "Exact", "Diagonalization", "Bose-Hubbard in momentum space"]`	17.799 s (5%)	229.221 ms	366.83 MiB (1%)	2038836
`["Rimu", "Exact", "Multiplication", "Momentum space"]`	796.827 ms (5%)		10.92 MiB (1%)	284
`["Rimu", "Exact", "Multiplication", "Transcorrelated"]`	2.316 s (5%)		1.87 MiB (1%)	291
`["Rimu", "FCIQMC", "(10, 20) Mom space with projected energy and initiator"]`	28.052 s (5%)	15.830 ms	59.95 MiB (1%)	1925090
`["Rimu", "FCIQMC", "(4+1, 11) 2C Mom space with G2Correlators"]`	24.423 s (5%)		30.12 MiB (1%)	830487
`["Rimu", "FCIQMC", "(50, 50) Real space"]`	21.802 s (5%)	15.555 ms	29.36 MiB (1%)	138045

Benchmark Group List

Here's a list of all the benchmark groups executed by this job:

["Rimu", "Exact", "Diagonalization"]
["Rimu", "Exact", "Multiplication"]
["Rimu", "FCIQMC"]

Julia versioninfo

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 1751 s 0 s 130 s 11409 s 0 s
 #2 0 MHz 1866 s 0 s 149 s 11274 s 0 s
 #3 0 MHz 3583 s 0 s 121 s 9543 s 0 s
 #4 0 MHz 5509 s 0 s 100 s 7687 s 0 s
 Memory: 15.606491088867188 GB (13333.6875 MB free)
 Uptime: 1333.85 sec
 Load Avg: 1.0 1.0 0.8
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Runtime information

Runtime Info
BLAS #threads	2
`BLAS.vendor()`	`lbt`
`Sys.CPU_THREADS`	4

lscpu output:

Architecture: x86_64
CPU op-mode(s): 32-bit, 64-bit
Address sizes: 48 bits physical, 48 bits virtual
Byte Order: Little Endian
CPU(s): 4
On-line CPU(s) list: 0-3
Vendor ID: AuthenticAMD
Model name: AMD EPYC 7763 64-Core Processor
CPU family: 25
Model: 1
Thread(s) per core: 2
Core(s) per socket: 2
Socket(s): 1
Stepping: 1
BogoMIPS: 4890.86
Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ht syscall nx mmxext fxsr_opt pdpe1gb rdtscp lm constant_tsc rep_good nopl tsc_reliable nonstop_tsc cpuid extd_apicid aperfmperf pni pclmulqdq ssse3 fma cx16 pcid sse4_1 sse4_2 movbe popcnt aes xsave avx f16c rdrand hypervisor lahf_lm cmp_legacy svm cr8_legacy abm sse4a misalignsse 3dnowprefetch osvw topoext invpcid_single vmmcall fsgsbase bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves clzero xsaveerptr rdpru arat npt nrip_save tsc_scale vmcb_clean flushbyasid decodeassists pausefilter pfthreshold v_vmsave_vmload umip vaes vpclmulqdq rdpid fsrm
Virtualization: AMD-V
Hypervisor vendor: Microsoft
Virtualization type: full
L1d cache: 64 KiB (2 instances)
L1i cache: 64 KiB (2 instances)
L2 cache: 1 MiB (2 instances)
L3 cache: 32 MiB (1 instance)
NUMA node(s): 1
NUMA node0 CPU(s): 0-3
Vulnerability Gather data sampling: Not affected
Vulnerability Itlb multihit: Not affected
Vulnerability L1tf: Not affected
Vulnerability Mds: Not affected
Vulnerability Meltdown: Not affected
Vulnerability Mmio stale data: Not affected
Vulnerability Retbleed: Not affected
Vulnerability Spec rstack overflow: Vulnerable: Safe RET, no microcode
Vulnerability Spec store bypass: Vulnerable
Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization
Vulnerability Spectre v2: Mitigation; Retpolines; STIBP disabled; RSB filling; PBRSB-eIBRS Not affected; BHI Not affected
Vulnerability Srbds: Not affected
Vulnerability Tsx async abort: Not affected

Cpu Property	Value
Brand	AMD EPYC 7763 64-Core Processor
Vendor	:AMD
Architecture	:Unknown
Model	Family: 0xaf, Model: 0x01, Stepping: 0x01, Type: 0x00
Cores	16 physical cores, 16 logical cores (on executing CPU)
	No Hyperthreading hardware capability detected
Clock Frequencies	Not supported by CPU
Data Cache	Level 1:3 : (32, 512, 32768) kbytes
	64 byte cache line size
Address Size	48 bits virtual, 48 bits physical
SIMD	256 bit = 32 byte max. SIMD vector size
Time Stamp Counter	TSC is accessible via `rdtsc`
	TSC runs at constant rate (invariant from clock frequency)
Perf. Monitoring	Performance Monitoring Counters (PMC) are not supported
Hypervisor	Yes, Microsoft

Benchmark result

Judge result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Time of benchmarks:

Target: 15 Nov 2024 - 05:56
Baseline: 15 Nov 2024 - 06:06

Package commits:

Target: 78748c
Baseline: 39e660

Julia commits:

Target: 8f5b7c
Baseline: 8f5b7c

Julia command flags:

Target: None
Baseline: None

Environment variables:

Target: None
Baseline: None

Results

A ratio greater than 1.0 denotes a possible regression (marked with ❌), while a ratio less
than 1.0 denotes a possible improvement (marked with ✅). Only significant results - results
that indicate possible regressions or improvements - are shown below (thus, an empty table means that all
benchmark results remained invariant between builds).

ID	time ratio	memory ratio

Benchmark Group List

Here's a list of all the benchmark groups executed by this job:

["Rimu", "Exact", "Diagonalization"]
["Rimu", "Exact", "Multiplication"]
["Rimu", "FCIQMC"]

Julia versioninfo

Target

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 628 s 0 s 91 s 6871 s 0 s
 #2 0 MHz 236 s 0 s 106 s 7268 s 0 s
 #3 0 MHz 1814 s 0 s 99 s 5700 s 0 s
 #4 0 MHz 4088 s 0 s 75 s 3453 s 0 s
 Memory: 15.606491088867188 GB (13309.63671875 MB free)
 Uptime: 765.28 sec
 Load Avg: 1.07 0.93 0.55
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Baseline

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 2152 s 0 s 129 s 11350 s 0 s
 #2 0 MHz 2968 s 0 s 131 s 10555 s 0 s
 #3 0 MHz 3170 s 0 s 135 s 10348 s 0 s
 #4 0 MHz 4531 s 0 s 122 s 9003 s 0 s
 Memory: 15.606491088867188 GB (13308.25 MB free)
 Uptime: 1370.45 sec
 Load Avg: 1.0 1.01 0.8
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Target result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Time of benchmark: 15 Nov 2024 - 5:56
Package commit: 78748c
Julia commit: 8f5b7c
Julia command flags: None
Environment variables: None

Results

Below is a table of this job's results, obtained by running the benchmarks.
The values listed in the ID column have the structure [parent_group, child_group, ..., key], and can be used to
index into the BaseBenchmarks suite to retrieve the corresponding benchmarks.
The percentages accompanying time and memory values in the below table are noise tolerances. The "true"
time/memory value for a given benchmark is expected to fall within this percentage of the reported value.
An empty cell means that the value was zero.

ID	time	GC time	memory	allocations
`["Rimu", "Exact", "Diagonalization", "2D Hubbard"]`	1.917 s (5%)	1.677 ms	93.58 MiB (1%)	24260
`["Rimu", "Exact", "Diagonalization", "Bose-Hubbard in momentum space"]`	17.854 s (5%)	228.854 ms	366.83 MiB (1%)	2038836
`["Rimu", "Exact", "Multiplication", "Momentum space"]`	800.933 ms (5%)		10.92 MiB (1%)	284
`["Rimu", "Exact", "Multiplication", "Transcorrelated"]`	2.308 s (5%)		1.87 MiB (1%)	291
`["Rimu", "FCIQMC", "(10, 20) Mom space with projected energy and initiator"]`	27.859 s (5%)		59.95 MiB (1%)	1925107
`["Rimu", "FCIQMC", "(4+1, 11) 2C Mom space with G2Correlators"]`	24.191 s (5%)		30.12 MiB (1%)	830478
`["Rimu", "FCIQMC", "(50, 50) Real space"]`	21.442 s (5%)	16.152 ms	29.36 MiB (1%)	138067

Benchmark Group List

Here's a list of all the benchmark groups executed by this job:

["Rimu", "Exact", "Diagonalization"]
["Rimu", "Exact", "Multiplication"]
["Rimu", "FCIQMC"]

Julia versioninfo

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 628 s 0 s 91 s 6871 s 0 s
 #2 0 MHz 236 s 0 s 106 s 7268 s 0 s
 #3 0 MHz 1814 s 0 s 99 s 5700 s 0 s
 #4 0 MHz 4088 s 0 s 75 s 3453 s 0 s
 Memory: 15.606491088867188 GB (13309.63671875 MB free)
 Uptime: 765.28 sec
 Load Avg: 1.07 0.93 0.55
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Baseline result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Time of benchmark: 15 Nov 2024 - 6:6
Package commit: 39e660
Julia commit: 8f5b7c
Julia command flags: None
Environment variables: None

Results

Below is a table of this job's results, obtained by running the benchmarks.
The values listed in the ID column have the structure [parent_group, child_group, ..., key], and can be used to
index into the BaseBenchmarks suite to retrieve the corresponding benchmarks.
The percentages accompanying time and memory values in the below table are noise tolerances. The "true"
time/memory value for a given benchmark is expected to fall within this percentage of the reported value.
An empty cell means that the value was zero.

ID	time	GC time	memory	allocations
`["Rimu", "Exact", "Diagonalization", "2D Hubbard"]`	1.905 s (5%)	1.570 ms	93.58 MiB (1%)	24260
`["Rimu", "Exact", "Diagonalization", "Bose-Hubbard in momentum space"]`	17.663 s (5%)	234.954 ms	366.83 MiB (1%)	2038836
`["Rimu", "Exact", "Multiplication", "Momentum space"]`	820.968 ms (5%)		10.92 MiB (1%)	284
`["Rimu", "Exact", "Multiplication", "Transcorrelated"]`	2.316 s (5%)		1.87 MiB (1%)	291
`["Rimu", "FCIQMC", "(10, 20) Mom space with projected energy and initiator"]`	27.344 s (5%)		59.95 MiB (1%)	1925066
`["Rimu", "FCIQMC", "(4+1, 11) 2C Mom space with G2Correlators"]`	25.037 s (5%)		30.12 MiB (1%)	830485
`["Rimu", "FCIQMC", "(50, 50) Real space"]`	21.410 s (5%)		29.36 MiB (1%)	138055

Benchmark Group List

Here's a list of all the benchmark groups executed by this job:

["Rimu", "Exact", "Diagonalization"]
["Rimu", "Exact", "Multiplication"]
["Rimu", "FCIQMC"]

Julia versioninfo

Julia Version 1.11.1
Commit 8f5b7ca12ad (2024-10-16 10:53 UTC)
Build Info:
 Official https://julialang.org/ release
Platform Info:
 OS: Linux (x86_64-linux-gnu)
 Ubuntu 22.04.5 LTS
 uname: Linux 6.5.0-1025-azure #26~22.04.1-Ubuntu SMP Thu Jul 11 22:33:04 UTC 2024 x86_64 x86_64
 CPU: AMD EPYC 7763 64-Core Processor: 
 speed user nice sys idle irq
 #1 0 MHz 2152 s 0 s 129 s 11350 s 0 s
 #2 0 MHz 2968 s 0 s 131 s 10555 s 0 s
 #3 0 MHz 3170 s 0 s 135 s 10348 s 0 s
 #4 0 MHz 4531 s 0 s 122 s 9003 s 0 s
 Memory: 15.606491088867188 GB (13308.25 MB free)
 Uptime: 1370.45 sec
 Load Avg: 1.0 1.01 0.8
 WORD_SIZE: 64
 LLVM: libLLVM-16.0.6 (ORCJIT, znver3)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

Runtime information

Runtime Info
BLAS #threads	2
`BLAS.vendor()`	`lbt`
`Sys.CPU_THREADS`	4

lscpu output:

Architecture: x86_64
CPU op-mode(s): 32-bit, 64-bit
Address sizes: 48 bits physical, 48 bits virtual
Byte Order: Little Endian
CPU(s): 4
On-line CPU(s) list: 0-3
Vendor ID: AuthenticAMD
Model name: AMD EPYC 7763 64-Core Processor
CPU family: 25
Model: 1
Thread(s) per core: 2
Core(s) per socket: 2
Socket(s): 1
Stepping: 1
BogoMIPS: 4890.85
Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ht syscall nx mmxext fxsr_opt pdpe1gb rdtscp lm constant_tsc rep_good nopl tsc_reliable nonstop_tsc cpuid extd_apicid aperfmperf pni pclmulqdq ssse3 fma cx16 pcid sse4_1 sse4_2 movbe popcnt aes xsave avx f16c rdrand hypervisor lahf_lm cmp_legacy svm cr8_legacy abm sse4a misalignsse 3dnowprefetch osvw topoext invpcid_single vmmcall fsgsbase bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves clzero xsaveerptr rdpru arat npt nrip_save tsc_scale vmcb_clean flushbyasid decodeassists pausefilter pfthreshold v_vmsave_vmload umip vaes vpclmulqdq rdpid fsrm
Virtualization: AMD-V
Hypervisor vendor: Microsoft
Virtualization type: full
L1d cache: 64 KiB (2 instances)
L1i cache: 64 KiB (2 instances)
L2 cache: 1 MiB (2 instances)
L3 cache: 32 MiB (1 instance)
NUMA node(s): 1
NUMA node0 CPU(s): 0-3
Vulnerability Gather data sampling: Not affected
Vulnerability Itlb multihit: Not affected
Vulnerability L1tf: Not affected
Vulnerability Mds: Not affected
Vulnerability Meltdown: Not affected
Vulnerability Mmio stale data: Not affected
Vulnerability Retbleed: Not affected
Vulnerability Spec rstack overflow: Vulnerable: Safe RET, no microcode
Vulnerability Spec store bypass: Vulnerable
Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization
Vulnerability Spectre v2: Mitigation; Retpolines; STIBP disabled; RSB filling; PBRSB-eIBRS Not affected; BHI Not affected
Vulnerability Srbds: Not affected
Vulnerability Tsx async abort: Not affected

Cpu Property	Value
Brand	AMD EPYC 7763 64-Core Processor
Vendor	:AMD
Architecture	:Unknown
Model	Family: 0xaf, Model: 0x01, Stepping: 0x01, Type: 0x00
Cores	16 physical cores, 16 logical cores (on executing CPU)
	No Hyperthreading hardware capability detected
Clock Frequencies	Not supported by CPU
Data Cache	Level 1:3 : (32, 512, 32768) kbytes
	64 byte cache line size
Address Size	48 bits virtual, 48 bits physical
SIMD	256 bit = 32 byte max. SIMD vector size
Time Stamp Counter	TSC is accessible via `rdtsc`
	TSC runs at constant rate (invariant from clock frequency)
Perf. Monitoring	Performance Monitoring Counters (PMC) are not supported
Hypervisor	Yes, Microsoft

coveralls · 2024-11-15T05:11:40Z

Pull Request Test Coverage Report for Build 11850472702

Details

21 of 24 (87.5%) changed or added relevant lines in 4 files are covered.
No unchanged relevant lines lost coverage.
Overall coverage decreased (-0.03%) to 94.323%

Changes Missing Coverage	Covered Lines	Changed/Added Lines	%
src/Hamiltonians/Hamiltonians.jl	0	3	0.0%

Totals
Change from base Build 11790128004:	-0.03%
Covered Lines:	7011
Relevant Lines:	7433

💛 - Coveralls

Skuwar1

It looks good to me. Thanks for adding Hermitian and sum_mutating functions.

joachimbrand added 4 commits November 15, 2024 00:58

sum_mutating! and ReducedDensityMatrixCalculator!

0f1e71d

reduce allocations

bf07dc0

make it even faster

05bed43

add tests

8790ca5

joachimbrand added 2 commits November 15, 2024 17:35

fix tests for old and new Julia version

769b487

treat Hermitian properly

a6032c9

joachimbrand marked this pull request as ready for review November 15, 2024 04:50

joachimbrand requested review from Skuwar1 and mtsch November 15, 2024 04:50

Skuwar1 approved these changes Nov 15, 2024

View reviewed changes

doc and style updates

bf44343

Skuwar1 merged commit 835c2c6 into feature/reduced-density-matrix Nov 15, 2024
3 of 6 checks passed

Skuwar1 deleted the feature/improve-reduced-density-matrix branch November 15, 2024 08:50

Reduce allocations in ReducedDensityMatrix #295

Reduce allocations in ReducedDensityMatrix #295

Conversation

joachimbrand commented Nov 15, 2024 • edited Loading

New features

Changed behavior

github-actions bot commented Nov 15, 2024 • edited Loading

Judge result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Results

Benchmark Group List

Julia versioninfo

Target

Baseline

Target result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Results

Benchmark Group List

Julia versioninfo

Baseline result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Results

Benchmark Group List

Julia versioninfo

Runtime information

Judge result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Results

Benchmark Group List

Julia versioninfo

Target

Baseline

Target result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Results

Benchmark Group List

Julia versioninfo

Baseline result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Results

Benchmark Group List

Julia versioninfo

Runtime information

Judge result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Results

Benchmark Group List

Julia versioninfo

Target

Baseline

Target result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Results

Benchmark Group List

Julia versioninfo

Baseline result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Results

Benchmark Group List

Julia versioninfo

Runtime information

Judge result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Job Properties

Results

Benchmark Group List

Julia versioninfo

Target

Baseline

Target result

Benchmark Report for /home/runner/work/Rimu.jl/Rimu.jl

Reduce allocations in `ReducedDensityMatrix` #295

Reduce allocations in `ReducedDensityMatrix` #295

joachimbrand commented Nov 15, 2024 •

edited

Loading

github-actions bot commented Nov 15, 2024 •

edited

Loading