A question about the compilation(using CMake) of HANDE

Zihan Lin

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Jul 17, 2022, 9:46:13 AM7/17/22

to HANDE users

I had successfully compiled HANDE using CMake a few month ago. However, as I am trying to compile HANDEv1.6 on another laptop, errors occur. 'ex1.png' shows that configure step is done, and 'ex2.png' shows errors. I didn't have these problems during previous compilation.

I wonder how to solve the problems. I'd greatly appreciate it if someone could help me.

Brian Zhao

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Jul 17, 2022, 10:01:28 AM7/17/22

to HANDE users

Hi, thanks for reaching out! This looks like an issue with your local LAPACK library. Could you show us the full output produced by cmakeconfig.py?

Zihan Lin

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Jul 17, 2022, 10:55:49 PM7/17/22

to HANDE users

This is the full output produced by cmakeconfig.py. Thanks for helping me.

Brian Zhao

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Jul 18, 2022, 5:33:41 AM7/18/22

to HANDE users

Thanks! Looks like HANDE is configured using your system native LAPACK/BLAS (Found BLAS: SYSTEM_NATIVE etc.), which might not be the best option. I suggest trying to compile OpenBLAS (or install from apt-get), and re-configure HANDE. Also, you might want to add the --det-size=64 and --pop-size=64 flags to cmakeconfig.py, unless you intentionally want the 32-bit version.

Zihan Lin

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Jul 20, 2022, 12:30:37 AM7/20/22

to HANDE users

Thanks a lot for your advice! HANDE has been successfully compiled.

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