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Running example crashes #1

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gezmi opened this issue Feb 13, 2025 · 0 comments
Open

Running example crashes #1

gezmi opened this issue Feb 13, 2025 · 0 comments

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@gezmi
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gezmi commented Feb 13, 2025

Hi,

I tried to run the example notebokk (with a successful installation), however cell 06 Appending Simulation crashed with the error:
CalledProcessError: Command 'b'#Append\nsource "/content/drive/MyDrive/gmx/gromacs/bin/GMXRC"\ngmx mdrun -v -cpi md_1.cpt -noappend -deffnm md_1 -gpu_id 0\n\n'' returned non-zero exit status 1.

I used a T4 GPU, did not change anything in the notebook, only did Runtime-Run all

Thank you for looking into this!

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