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matchms metadata match memory allocation #425

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hechth opened this issue Oct 23, 2023 · 3 comments
Closed

matchms metadata match memory allocation #425

hechth opened this issue Oct 23, 2023 · 3 comments
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@hechth
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hechth commented Oct 23, 2023

Traceback (most recent call last):
  File "/mnt/volume/shared/ces-nya/nfs4/home/umsa/job_working_directory_object/088/88329/configs/tmpcj8be9cj", line 21, in <module>
    layer = similarity.matrix(
            ^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/site-packages/matchms/similarity/MetadataMatch.py", line 153, in matrix
    scores = np.zeros((len(entries_ref), len(entries_query)))
             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
numpy.core._exceptions._ArrayMemoryError: Unable to allocate 70.1 GiB for an array with shape (209427, 44936) and data type float64

Seems like matchms wants to allocate this amount of memory for the array - this should not be needed with the sparse computation.

We need to check whether the galaxy tool can be written in such a way that this is avoided.

@hechth hechth added the bug Something isn't working label Oct 23, 2023
@hechth
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hechth commented Oct 23, 2023

xref matchms/matchms#544

@zargham-ahmad
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@hechth this can be closed, should be fixed with the PR #544

@hechth hechth closed this as completed May 31, 2024
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