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pytorch_model not working with gromacs #1164

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kushal1594 opened this issue Dec 13, 2024 · 0 comments
Open

pytorch_model not working with gromacs #1164

kushal1594 opened this issue Dec 13, 2024 · 0 comments

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@kushal1594
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I'm trying to run a metadynamics simulation using a pytorch model using GROMACS v2023.5 patched with PLUMED v2.9.2. However, during runtime, I get the following error: munmap_chunk(): invalid pointer.

The libtorch version used is: libtorch-cxx11-abi-shared-with-deps-1.13.1+cpu.zip
Any help would be greatly appreciated!

Thanks,
Kushal

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