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Add support to compile with Intel MKL + Use it in MPS simulation #1913

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@Patataman Patataman commented Aug 24, 2023

Summary

Hello, this PR add the capability of compiling against Intel MKL, and using its functions in the MPS simulation method.

It is build over the LAPACK SVD (#1897).

I understand that you may not like it as this will imply contemplate both, OpenBLAS and Intel MKL when developing. So, I am prepared for a full rejection of the PR.

Details and comments

  1. Intel MKL overhead is a bit bigger than OpenBLAS, but performance in general is better.
  2. To enable it, must pass the -DMKL flag in compiling time. E.g: python ./setup.py bdist_wheel -DMKL=True
  3. While developing I got some segmentation faults in the SVD function. They happened because I was not using malloc/free at the time, so it should not happen again. However, I might missed something.
  4. All the tests pass, but I have only benchmarked against MPS simulation.

As in my other PRs, I have used RQC (https://arxiv.org/pdf/2207.14280.pdf) to test the performance:

Server specs

CPU Intel Xeon Gold 6148
# sockets 2
# cores 20
RAM 192GB
GPU None
OS Ubuntu 22.04.1 LTS
Python 3.10
OpenBLAS/LAPACK 0.3.21
gcc v11.3

And, the average time (in seconds) from 5 different executions:

Depth LAPACK QR MKL QR LAPACK D&C MKL D&C
1 0.04652729 0.035822439 0.049358368 0.053574371
3 0.109769773 0.05801568 0.126575661 0.060559988
5 0.148080826 0.108965158 0.16601491 0.101443863
10 28.21881118 21.28681765 21.8562469 18.65257401
12 429.5337416 219.2043834 208.0082648 168.9656805
15 12694.68723 1883.074192 1790.687791 486.1422515

EDIT: Added results for depth 15

@doichanj doichanj added the performance Performance improvements label Aug 24, 2023
@merav-aharoni
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Best to review this after #1897 is merged, because the changes here include those.
@doichanj - the main question here is for you, whether you want to include the MKL package in Aer.

@doichanj
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I think MKL should be optional that will not be included in distribution package of Aer. In this PR, MKL is enabled by setup option, so users who want to use MKL can build from the source

@doichanj doichanj added this to the Aer 0.14.0 milestone Oct 11, 2023
@doichanj doichanj removed this from the Aer 0.14.0 milestone Feb 5, 2024
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3 participants