chemfp report

The “chemfp report” subcommand is primarily meant to diagnose how chemfp was compiled and its run-time configuration.

chemfp report command-line options

The following comes from chemfp report --help:

Usage: chemfp report [OPTIONS]

  Report chemfp similarity search implementation details.

Options:
  --help  Show this message and exit.

Example output:

This is the result of running chemfp report on my MacBook Pro laptop with an M1 processor, and not compiled with OpenMP support:

== Configuration report for chemfp/4.2 ==
Python version: 3.12.2 (v3.12.2:6abddd9f6a, Feb  6 2024, 17:02:06) [Clang 13.0.0 (clang-1300.0.29.30)]
Platform: macOS-12.4-arm64-arm-64bit
Chemfp compiled with: clang 12.0.5 (clang-1205.0.22.9) (without OpenMP)
Number of available threads: 1
Available method families: builtin
Available methods: builtin_1_1 builtin_8 builtin_8_8 builtin_16 builtin_24 builtin_32 builtin_32_8 builtin_40 builtin_48 builtin_56 builtin_64 builtin_72 builtin_80 builtin_88 builtin_96 builtin_104 builtin_112 builtin_120 builtin_128 builtin_128_8 builtin_128_32 builtin_128_128
Size methods:
  size1_1: builtin_1_1
  size8_1: builtin_1_1
  size8_8: builtin_8_8
  size8: builtin_8
  size16: builtin_16
  size24: builtin_24
  size32: builtin_32
  size40: builtin_40
  size48: builtin_48
  size56: builtin_56
  size64: builtin_64
  size72: builtin_72
  size80: builtin_80
  size88: builtin_88
  size96: builtin_96
  size104: builtin_104
  size112: builtin_112
  size120: builtin_120
  size128: builtin_128
  size128_1: builtin_1_1
  size128_8: builtin_128_8
  size128_32: builtin_128_32
  size128_128: builtin_128_128
  size160: builtin_128_32
  size192: builtin_128_32
  size224: builtin_128_32
  size256: builtin_128_128
Option settings:
  report-popcount: 0
  report-intersect: 0
  report-algorithm: 0
  use-specialized-algorithms: 1