---
title: "ABACUS MPI/OpenMP layout benchmark: all runs"
description: "Every run from the Ouro DFT (ABACUS v3.10.1, LCAO DZP, 100 Ry, kspacing 0.3, SCF + forces/stress) parallel-layout benchmark on Modal: layout (worker:ranks x threads[:kpar[:binding]]), OpenBLAS thread setting, wall time, energy, moment, ABACUS per-section timings, and host CPU family. Four series: fi"
url: "https://ouro.foundation/files/mmoderwell/abacus-mpi-openmp-layout-benchmark-all-runs"
id: "039a2753-a48b-4600-8a9d-02231f41afd1"
type: "file"
---

# ABACUS MPI/OpenMP layout benchmark: all runs

File by @mmoderwell in #materials-science (all) · .csv · 10.8 KB

- Asset id: `039a2753-a48b-4600-8a9d-02231f41afd1`
- Page: https://ouro.foundation/files/mmoderwell/abacus-mpi-openmp-layout-benchmark-all-runs

Every run from the Ouro DFT (ABACUS v3.10.1, LCAO DZP, 100 Ry, kspacing 0.3, SCF + forces/stress) parallel-layout benchmark on Modal: layout (worker:ranks x threads[:kpar[:binding]]), OpenBLAS thread setting, wall time, energy, moment, ABACUS per-section timings, and host CPU family. Four series: first layout matrix, timing + pinning, OpenBLAS pinned, production baseline.

## Contents

```csv
series,structure,n_atoms,layout,kpar,openblas_threads,repeat,status,wall_s,scf_iterations,energy_ev,total_mag_uB,t_total_s,t_diag_s,t_gint_s,t_potential_s,t_vxc_s,t_force_stress_s,host_visible_cpus,host_cpu
1_first_matrix,Fe,2,cpu8:1x8,1,none,0,success,66.0,16,-6818.56351,4.5022,,,,,,,,
1_first_matrix,Fe,2,cpu8:8x1,8,none,0,success,26.9,16,-6818.56351,4.5022,,,,,,,,
1_first_matrix,Fe,2,cpu8:1x8,1,none,0,success,18.1,16,-6818.56351,4.5022,,,,,,,,
1_first_matrix,Fe,2,cpu8:2x4,2,none,0,success,48.3,16,-6818.56351,4.5022,,,,,,,,
1_first_matrix,Fe,2,cpu8:4x2,4,none,0,success,36.6,16,-6818.56351,4.5022,,,,,,,,
1_first_matrix,Fe,2,cpu8:8x1,8,none,0,success,16.9,16,-6818.56351,4.5022,,,,,,,,
1_first_matrix,Fe,2,cpu8:8x1:1,1,none,0,success,24.0,16,-6818.56351,4.5022,,,,,,,,
1_first_matrix,Fe,2,cpu16:1x16,1,none,0,success,45.4,16,-6818.56351,4.5022,,,,,,,,
1_first_matrix,Fe,2,cpu16:16x1,16,none,0,success,24.8,16,-6818.56351,4.5022,,,,,,,,
1_first_matrix,Fe,2,cpu16:4x4,4,none,0,success,38.2,16,-6818.56351,4.5022,,,,,,,,
1_first_matrix,Fe,2,cpu32:32x1,32,none,0,success,35.3,16,-6818.56351,4.5022,,,,,,,,
1_first_matrix,Fe,2,cpu32:8x4,8,none,0,success,62.9,16,-6818.56351,4.5022,,,,,,,,
1_first_matrix,NiO,8,cpu8:1x8,1,none,0,success,439.9,20,-20053.38874,7.3655,,,,,,,,
1_first_matrix,NiO,8,cpu8:2x4,2,none,0,success,193.4,19,-20053.38873,7.3649,,,,,,,,
1_first_matrix,NiO,8,cpu8:4x2,4,none,0,success,199.9,19,-20053.38874,7.3655,,,,,,,,
1_first_matrix,NiO,8,cpu8:8x1,8,none,0,success,74.1,20,-20053.38874,7.365,,,,,,,,
1_first_matrix,NiO,8,cpu8:8x1:1,1,none,0,success,130.6,20,-20053.38874,7.365,,,,,,,,
1_first_matrix,NiO,8,cpu16:1x16,1,none,0,success,491.9,19,-20053.38874,7.3652,,,,,,,,
1_first_matrix,NiO,8,cpu16:16x1,16,none,0,success,68.4,20,-20053.38874,7.3651,,,,,,,,
1_first_matrix,NiO,8,cpu16:4x4,4,none,0,success,279.6,20,-20053.38874,7.3649,,,,,,,,
1_first_matrix,NiO,8,cpu32:32x1,32,none,0,success,60.9,19,-20053.38873,7.3658,,,,,,,,
1_first_matrix,NiO,8,cpu32:8x4,8,none,0,success,212.4,20,-20053.38873,7.3658,,,,,,,,
1_first_matrix,FeCo,16,cpu8:1x8,1,none,0,success,425.6,19,-60578.36586,38.5937,,,,,,,,
1_first_matrix,FeCo,16,cpu8:2x4,2,none,0,success,205.9,19,-60578.36586,38.5937,,,,,,,,
1_first_matrix,FeCo,16,cpu8:4x2,4,none,0,success,258.6,19,-60578.36586,38.5937,,,,,,,,
1_first_matrix,FeCo,16,cpu8:8x1,8,none,0,success,128.0,19,-60578.36586,38.5937,,,,,,,,
1_first_matrix,FeCo,16,cpu8:8x1:1,1,none,0,success,322.6,19,-60578.36586,38.5937,,,,,,,,
1_first_matrix,FeCo,16,cpu16:1x16,1,none,0,success,714.0,19,-60578.36586,38.5937,,,,,,,,
1_first_matrix,FeCo,16,cpu16:16x1,16,none,0,success,157.1,19,-60578.36586,38.5937,,,,,,,,
1_first_matrix,FeCo,16,cpu16:4x4,4,none,0,success,370.3,19,-60578.36586,38.5937,,,,,,,,
1_first_matrix,FeCo,16,cpu32:32x1,32,none,0,success,200.0,19,-60578.36586,38.5937,,,,,,,,
1_first_matrix,FeCo,16,cpu32:8x4,8,none,0,success,318.5,19,-60578.36586,38.5937,,,,,,,,
1_first_matrix,FeCo 2x1x1,32,cpu8:1x8,1,none,0,success,1043.5,19,-121156.73172,77.1874,,,,,,,,
1_first_matrix,FeCo 2x1x1,32,cpu8:2x4,2,none,0,success,608.9,19,-121156.73172,77.1874,,,,,,,,
1_first_matrix,FeCo 2x1x1,32,cpu8:4x2,4,none,0,success,462.2,19,-121156.73172,77.1874,,,,,,,,
1_first_matrix,FeCo 2x1x1,32,cpu8:8x1,8,none,0,success,254.1,19,-121156.73172,77.1874,,,,,,,,
1_first_matrix,FeCo 2x1x1,32,cpu8:8x1:1,1,none,0,success,598.9,19,-121156.73172,77.1874,,,,,,,,
1_first_matrix,FeCo 2x1x1,32,cpu16:1x16,1,none,0,timeout,1200.1,17,,,,,,,,,,
1_first_matrix,FeCo 2x1x1,32,cpu16:16x1,16,none,0,success,272.4,19,-121156.73172,77.1874,,,,,,,,
1_first_matrix,FeCo 2x1x1,32,cpu16:4x4,4,none,0,success,563.7,19,-121156.73172,77.1874,,,,,,,,
1_first_matrix,FeCo 2x1x1,32,cpu32:32x1,32,none,0,success,267.2,19,-121156.73172,77.1874,,,,,,,,
1_first_matrix,FeCo 2x1x1,32,cpu32:8x4,8,none,0,success,521.5,19,-121156.73172,77.1874,,,,,,,,
2_timing_and_pinning,NiO,8,cpu8:1x8,1,none,0,success,61.7,20,-20053.38874,7.3654,60.7,50.4,29.8,4.6,4.8,2.5,24,
2_timing_and_pinning,NiO,8,cpu8:8x1,8,none,0,success,74.0,20,-20053.38874,7.365,72.3,65.3,44.5,1.7,1.7,2.9,24,
2_timing_and_pinning,NiO,8,cpu8:8x1::core,8,none,0,success,77.2,23,-20053.38874,7.3651,75.0,66.8,56.5,1.6,1.5,3.1,24,
2_timing_and_pinning,NiO,8,cpu16:16x1,16,none,0,success,66.5,20,-20053.38874,7.3651,64.4,56.9,22.8,2.9,2.5,1.7,32,
2_timing_and_pinning,NiO,8,cpu16:16x1::core,16,none,0,success,42.6,20,-20053.38873,7.3657,40.8,35.7,24.3,0.8,0.8,1.7,32,
2_timing_and_pinning,NiO,8,cpu16:16x1:8,8,none,0,success,85.9,20,-20053.38874,7.3656,83.7,75.7,27.4,2.7,2.2,1.9,32,
2_timing_and_pinning,NiO,8,cpu32:32x1,32,none,0,success,50.5,20,-20053.38874,7.3653,47.7,41.5,7.8,1.8,1.2,0.6,48,
2_timing_and_pinning,NiO,8,cpu32:32x1::core,32,none,0,success,22.1,20,-20053.38874,7.3654,19.9,16.1,6.7,0.5,0.5,0.6,48,
2_timing_and_pinning,NiO,8,cpu32:32x1:8,8,none,0,success,100.5,19,-20053.38874,7.3649,97.8,91.0,7.4,1.9,1.4,0.8,48,
2_timing_and_pinning,NiO,8,cpu32:32x1:4,4,none,0,success,173.2,19,-20053.38874,7.3649,170.3,162.6,14.5,2.4,1.9,1.2,48,
2_timing_and_pinning,NiO,8,cpu32:16x2,16,none,0,success,136.7,20,-20053.38874,7.3649,134.4,121.4,73.3,5.1,2.7,3.5,48,
2_timing_and_pinning,FeCo 2x1x1,32,cpu8:1x8,1,none,0,success,907.3,19,-121156.73172,77.1874,906.2,847.2,409.9,22.4,21.7,23.6,24,
2_timing_and_pinning,FeCo 2x1x1,32,cpu8:8x1,8,none,0,success,251.0,19,-121156.73172,77.1874,249.5,229.9,90.8,3.8,3.7,9.2,24,
2_timing_and_pinning,FeCo 2x1x1,32,cpu8:8x1::core,8,none,0,success,227.5,19,-121156.73172,77.1874,225.8,202.1,110.6,3.9,4.0,12.3,24,
2_timing_and_pinning,FeCo 2x1x1,32,cpu16:16x1,16,none,0,success,329.0,19,-121156.73172,77.1874,326.9,304.6,70.2,4.5,4.1,8.6,32,
2_timing_and_pinning,FeCo 2x1x1,32,cpu16:16x1::core,16,none,0,success,171.0,19,-121156.73172,77.1874,169.0,150.5,77.4,3.2,3.2,7.9,32,
2_timing_and_pinning,FeCo 2x1x1,32,cpu16:16x1:8,8,none,0,success,396.6,19,-121156.73172,77.1874,394.5,373.0,77.5,4.4,4.0,8.6,32,
2_timing_and_pinning,FeCo 2x1x1,32,cpu32:32x1,32,none,0,success,292.8,19,-121156.73172,77.1874,290.2,272.9,23.5,3.6,2.3,4.3,48,
2_timing_and_pinning,FeCo 2x1x1,32,cpu32:32x1::core,32,none,0,success,79.3,19,-121156.73172,77.1874,77.0,66.0,22.1,1.9,1.9,3.0,48,
2_timing_and_pinning,FeCo 2x1x1,32,cpu32:32x1:8,8,none,0,success,744.4,19,-121156.73172,77.1874,741.5,719.5,38.0,4.0,2.7,5.9,48,
2_timing_and_pinning,FeCo 2x1x1,32,cpu32:32x1:4,4,none,0,timeout,1201.2,15,,,,,,,,,48,
2_timing_and_pinning,FeCo 2x1x1,32,cpu32:16x2,16,none,0,success,557.5,19,-121156.73172,77.1874,555.0,518.4,147.9,10.9,9.1,12.0,48,
3_openblas_pinned,NiO,8,cpu8:1x8,1,pinned,0,success,62.3,19,-20053.38874,7.3648,61.3,54.8,30.0,2.0,1.9,2.5,24,SkylakeX
3_openblas_pinned,NiO,8,cpu8:1x8,1,pinned,1,success,423.0,20,-20053.38874,7.3649,421.9,396.0,388.8,4.6,4.4,18.2,24,Zen
3_openblas_pinned,NiO,8,cpu8:8x1,8,pinned,0,success,62.7,23,-20053.38874,7.3651,61.3,55.1,46.9,1.2,1.2,2.8,24,Zen
3_openblas_pinned,NiO,8,cpu8:8x1,8,pinned,1,success,65.5,23,-20053.38874,7.3651,63.9,57.6,48.8,1.3,1.2,2.8,24,Zen
3_openblas_pinned,NiO,8,cpu8:8x1::core,8,pinned,0,success,65.9,23,-20053.38874,7.3651,64.2,57.8,49.1,1.3,1.2,2.9,24,Zen
3_openblas_pinned,NiO,8,cpu8:8x1::core,8,pinned,1,success,68.9,23,-20053.38874,7.3651,67.3,60.7,50.5,1.3,1.3,3.1,24,Zen
3_openblas_pinned,NiO,8,cpu16:16x1::core,16,pinned,0,success,43.9,20,-20053.38873,7.3657,42.1,36.9,25.1,0.9,0.9,1.8,32,Zen
3_openblas_pinned,NiO,8,cpu16:16x1::core,16,pinned,1,success,40.7,20,-20053.38873,7.3657,38.8,33.7,22.9,0.9,0.9,1.7,32,Zen
3_openblas_pinned,NiO,8,cpu32:32x1,32,pinned,0,success,21.9,20,-20053.38874,7.3654,19.3,15.7,6.8,0.4,0.4,0.6,48,Cooperlake
3_openblas_pinned,NiO,8,cpu32:32x1,32,pinned,1,success,22.9,20,-20053.38874,7.3654,20.5,16.6,6.8,0.5,0.5,0.7,48,Cooperlake
3_openblas_pinned,NiO,8,cpu32:32x1::core,32,pinned,0,success,36.7,20,-20053.38873,7.3656,34.2,28.9,13.6,0.8,0.8,1.2,48,Zen
3_openblas_pinned,NiO,8,cpu32:32x1::core,32,pinned,1,success,35.0,20,-20053.38873,7.3656,32.5,27.8,13.1,0.5,0.5,1.1,48,Zen
3_openblas_pinned,NiO,8,cpu32:32x1:8,8,pinned,0,success,35.6,19,-20053.38874,7.3653,33.1,27.6,12.9,0.8,0.8,1.3,48,Zen
3_openblas_pinned,NiO,8,cpu32:32x1:8,8,pinned,1,success,30.1,19,-20053.38874,7.3653,27.6,22.8,10.2,0.6,0.6,0.9,48,Zen
3_openblas_pinned,NiO,8,cpu32:32x1:8:core,8,pinned,0,success,35.4,19,-20053.38874,7.3653,32.9,27.9,12.5,0.7,0.6,1.1,48,Zen
3_openblas_pinned,NiO,8,cpu32:32x1:8:core,8,pinned,1,success,36.7,19,-20053.38874,7.3653,34.3,29.2,13.2,0.7,0.6,1.2,48,Zen
3_openblas_pinned,FeCo 2x1x1,32,cpu8:1x8,1,pinned,0,success,914.5,19,-121156.73172,77.1874,913.2,854.7,406.8,20.2,19.5,26.3,24,Zen
3_openblas_pinned,FeCo 2x1x1,32,cpu8:1x8,1,pinned,1,success,549.5,19,-121156.73172,77.1874,548.6,519.8,90.5,10.1,9.6,10.9,24,SkylakeX
3_openblas_pinned,FeCo 2x1x1,32,cpu8:8x1,8,pinned,0,success,192.7,19,-121156.73172,77.1874,190.9,171.9,101.2,3.0,3.0,10.1,24,Zen
3_openblas_pinned,FeCo 2x1x1,32,cpu8:8x1,8,pinned,1,success,192.4,19,-121156.73172,77.1874,190.7,170.7,98.3,3.0,3.0,10.6,24,Zen
3_openblas_pinned,FeCo 2x1x1,32,cpu8:8x1::core,8,pinned,0,success,204.6,19,-121156.73172,77.1874,203.0,182.2,101.9,3.6,3.6,10.3,24,Zen
3_openblas_pinned,FeCo 2x1x1,32,cpu8:8x1::core,8,pinned,1,success,205.8,19,-121156.73172,77.1874,204.3,184.1,104.2,3.5,3.5,10.3,24,Zen
3_openblas_pinned,FeCo 2x1x1,32,cpu16:16x1::core,16,pinned,0,success,166.3,19,-121156.73172,77.1874,164.1,147.0,74.3,2.7,2.8,6.9,32,Zen
3_openblas_pinned,FeCo 2x1x1,32,cpu16:16x1::core,16,pinned,1,success,152.1,19,-121156.73172,77.1874,150.3,134.2,70.8,2.8,2.8,6.7,32,Zen
3_openblas_pinned,FeCo 2x1x1,32,cpu32:32x1,32,pinned,0,success,84.9,19,-121156.73172,77.1874,82.5,70.5,22.2,2.2,2.2,3.1,48,Cooperlake
3_openblas_pinned,FeCo 2x1x1,32,cpu32:32x1,32,pinned,1,success,80.9,19,-121156.73172,77.1874,78.5,67.7,22.2,1.9,1.9,3.0,48,Cooperlake
3_openblas_pinned,FeCo 2x1x1,32,cpu32:32x1::core,32,pinned,0,success,111.1,19,-121156.73172,77.1874,108.7,94.3,37.7,2.4,2.4,4.3,48,Zen
3_openblas_pinned,FeCo 2x1x1,32,cpu32:32x1::core,32,pinned,1,success,117.9,19,-121156.73172,77.1874,115.5,101.1,39.3,2.4,2.3,4.6,48,Zen
3_openblas_pinned,FeCo 2x1x1,32,cpu32:32x1:8,8,pinned,0,success,127.4,19,-121156.73172,77.1874,124.9,110.5,41.4,2.4,2.4,4.7,48,Zen
3_openblas_pinned,FeCo 2x1x1,32,cpu32:32x1:8,8,pinned,1,success,146.0,19,-121156.73172,77.1874,143.4,127.0,38.3,2.4,2.4,5.0,48,Zen
3_openblas_pinned,FeCo 2x1x1,32,cpu32:32x1:8:core,8,pinned,0,success,82.3,19,-121156.73172,77.1874,80.1,69.5,22.2,1.8,1.8,3.0,48,Cooperlake
3_openblas_pinned,FeCo 2x1x1,32,cpu32:32x1:8:core,8,pinned,1,success,92.0,19,-121156.73172,77.1874,89.8,78.1,22.4,2.1,2.1,3.2,48,Cooperlake
3_production_baseline,NiO,8,cpu8:1x8,1,none,0,success,417.1,20,-20053.38874,7.3651,415.9,391.4,382.7,4.4,4.2,17.1,24,Zen
3_production_baseline,NiO,8,cpu8:1x8,1,none,1,success,389.9,19,-20053.38873,7.3656,388.8,364.7,360.3,3.9,3.7,17.4,24,Zen
3_production_baseline,FeCo 2x1x1,32,cpu8:1x8,1,none,0,success,1042.4,19,-121156.73172,77.1874,1041.1,977.5,509.4,22.7,21.8,27.5,24,Zen
3_production_baseline,FeCo 2x1x1,32,cpu8:1x8,1,none,1,success,1035.7,19,-121156.73172,77.1874,1034.3,969.9,469.9,23.5,22.7,26.5,24,Zen
```

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/01a0ebb8-f588-75a0-b7a6-a35a06952fda.csv?v=1790661163072
- Over Ouro MCP: `download_asset(id="039a2753-a48b-4600-8a9d-02231f41afd1")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="039a2753-a48b-4600-8a9d-02231f41afd1")`, then pass it as `input_assets={"file": "039a2753-a48b-4600-8a9d-02231f41afd1"}`.
- From Python: `ouro.files.retrieve("039a2753-a48b-4600-8a9d-02231f41afd1")`