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Fix: oneAPI runtime error when build with libtorch #4613

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merged 16 commits into from
Jul 10, 2024

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@caic99 caic99 commented Jul 9, 2024

Intel MKL and libtorch_cpu.so both brings their own FFT implementation, which causes conflict.
By switching linking order, this PR let the former takes precedence.
The modification is tested on my instance.

#4603

@caic99 caic99 requested a review from pxlxingliang July 9, 2024 06:45
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By using the modified CMakelist.txt, I rerun the daily test (intel-elpa), and 000_I3Pb1C1N2H5 can run successfully and the results are correct, but other cases are still failed.

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caic99 commented Jul 9, 2024

By using the modified CMakelist.txt, I rerun the daily test (intel-elpa), and 000_I3Pb1C1N2H5 can run successfully and the results are correct, but other cases are still failed.

This modification also breaks GNU toolchain building. @pxlxingliang I'm running out of ideas. Would you find someone else to help?

@caic99 caic99 marked this pull request as draft July 9, 2024 09:57
@caic99 caic99 marked this pull request as ready for review July 9, 2024 11:50
@mohanchen mohanchen added the Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS label Jul 9, 2024
@mohanchen mohanchen merged commit 9350441 into deepmodeling:develop Jul 10, 2024
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@caic99 caic99 deleted the fix-runtime-error branch July 10, 2024 13:54
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