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[BUG] Running a few trajectory conversions at the same time might cause their files to not be written #629

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ChiCheng45 opened this issue Jan 3, 2025 · 0 comments
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ChiCheng45 commented Jan 3, 2025

Description of the error
For some reason when you run a few jobs at the same time, some jobs that complete do not have their output trajectories written to an MDT file even though if you run it again on itself it completes without any issues. Possibly some issue with HDF file writing in parallel?

Additional details
Here I run three gromacs at the same time
Animation60
notice that my 3rd trajectory md did not load up automatically, its file doesn't exist. This seems to be random and any one or two of them might not load up properly.

Here I convert md on itself and it loads up properly without any issues.
Animation61

@ChiCheng45 ChiCheng45 added the bug Something isn't working label Jan 3, 2025
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