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protocol_subtomo_subtraction: improved implementation with MPI and md convert #164

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merged 15 commits into from
Oct 31, 2023

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EstrellaFG
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This PR goes with I2PC/xmipp#825

The implementation has changed: now it converts the set of subtomograms to a xmd, subtract all of them (doing all the preprocessing needed in xmipp) and then it returns the output xmd which is converted to a setOfSubtomograms.

This development has implied to create a xmipptomo convert (based on xmipp3 convert) with some adaptation to subtomograms and coordinates3D. Probably this convert can be improved in the future.

@EstrellaFG EstrellaFG marked this pull request as ready for review October 20, 2023 09:16
@@ -77,87 +75,29 @@ def _defineParams(self, form):
expertLevel=LEVEL_ADVANCED, help='Save input volume 1 (first subtomogram of the set) filtered '
'and input volume 2 (average) adjusted, which are the volumes '
'that are really subtracted.')
form.addParallelSection(threads=0, mpi=4)
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Why 4 and not 8? (is the default in other cases)

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Why we can not fill the MPI number in the form?
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@Vilax Vilax Oct 27, 2023

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Despite I am still learning the algorithm the MPI can overload the RAM. That means at least 8 copies in memory, but the algorithm can requires many more (internally). I think 4 is a save value. But, I am still learning the method

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Yes, and AFAIK 4 was the maximum allowed in the machine where Scipion tests were executed (maybe this has changed now, not sure). But I have no problem if you change it as you consider.

With respect to why we can not fill the MPI number in the form, I could when I tried (actually I tried with different values), so not sure what has changed (maybe something from scipion is not updated or has changed?). I am so sorry but I can not check it now as my Ubuntu has died (I do not know why... the destiny?) but let me know if you need something @albertmena .

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Ok, now it works (not sure what happened)

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sonarcloud bot commented Oct 27, 2023

Kudos, SonarCloud Quality Gate passed!    Quality Gate passed

Bug A 0 Bugs
Vulnerability A 0 Vulnerabilities
Security Hotspot A 0 Security Hotspots
Code Smell A 10 Code Smells

No Coverage information No Coverage information
0.0% 0.0% Duplication

@albertmena albertmena merged commit 3d393c0 into devel Oct 31, 2023
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@albertmena albertmena deleted the ef_subtomo_subtraction branch October 31, 2023 13:43
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3 participants