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Segmentation fault with Nequip based GCMC in Lammps #57

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otayfuroglu opened this issue Sep 22, 2024 · 0 comments
Open

Segmentation fault with Nequip based GCMC in Lammps #57

otayfuroglu opened this issue Sep 22, 2024 · 0 comments

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@otayfuroglu
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Hi,
I am trying to run nequip based GCMC simulation of CO2 in MOF. However, I am ending up in getting a segmentation fault. Before posting here, I looked into mailing list but could not get fix the issue.

I am using 17 Apr 2024 - Development version of LAMMPS.

To reproduce the error, the files are attached.
minimal_input.zip

Can anyone help me in fixing this error? Thanks in advance.

Thanks,
Omer
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@otayfuroglu