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Segmentation fault #195

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Gunwook-Nam opened this issue Aug 14, 2024 · 3 comments
Open

Segmentation fault #195

Gunwook-Nam opened this issue Aug 14, 2024 · 3 comments
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@wxj6000
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@Gunwook-Nam
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I'm try to install and run the simple example script, but I'm get in trouble with 'Segmentation fault'

image

Since I'm using Windows11, I install and run the pyscf and gpu4pyscf on WSL2.
I've tried to test on both Ubuntu 20.04 and 22.04 WSL2, but it didn't work at all. (always return Segmentation fault without any hint)

Please give me some advise, or share your experience. It will be great help.
@wxj6000
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wxj6000 commented Aug 14, 2024

Thank you for the feedback. I am looking into it.

@wxj6000
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wxj6000 commented Aug 14, 2024

I can confirm this bug on Windows. It is most likely due to a bug in libxc, as it works fine for HF. There is a PR to improve the interfaces to libxc, which also avoid illegal operations in libxc (https://gitlab.com/libxc/libxc/-/issues/438).

@wxj6000 wxj6000 self-assigned this Aug 14, 2024
@wxj6000 wxj6000 added the bug Something isn't working label Aug 14, 2024
This was referenced Aug 20, 2024
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wxj6000 commented Aug 25, 2024

The issue has been fixed in v1.0.1

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