3dem / relion

Image-processing software for cryo-electron microscopy
https://relion.readthedocs.io/en/latest/
GNU General Public License v2.0
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3d refinement of shiny.star #769

Closed kmanikandan123 closed 3 years ago

kmanikandan123 commented 3 years ago

The 3d refinement of shiny.star fails with the following error message.

Auto-refine: Resolution= 7.88571 (no gain for 2 iter) Auto-refine: Changes in angles= 10.1864 degrees; and in offsets= 1.59291 Angstroms (no gain for 2 iter) Estimating accuracies in the orientational assignment ... 4/ 4 sec ............................................................~~(,_,"> Auto-refine: Estimated accuracy angles= 1.938 degrees; offsets= 1.4559 Angstroms Auto-refine: Angular step= 3.75 degrees; local searches= false Auto-refine: Offset search range= 7.96457 Angstroms; offset step= 1.09192 Angstroms CurrentResolution= 7.88571 Angstroms, which requires orientationSampling of at least 2.43243 degrees for a particle of diameter 370 Angstroms Oversampling= 0 NrHiddenVariableSamplingPoints= 1658880 OrientationalSampling= 7.5 NrOrientations= 36864 TranslationalSampling= 2.18385 NrTranslations= 45

Oversampling= 1 NrHiddenVariableSamplingPoints= 53084160 OrientationalSampling= 3.75 NrOrientations= 294912 TranslationalSampling= 1.09192 NrTranslations= 180

Expectation iteration 9 000/??? sec ~~(,_,"> [oo]ERROR: CudaCustomAllocator out of memory [requestedSpace: 803059200 B] [largestContinuousFreeSpace: 67155456 B] [totalFreeSpace: 67337728 B] (518656B) (521728B) (518656B) (521728B) (518656B) (521728B) (188416B) (2560B) (94208B) (188416B) (2560B) (94208B) (188416B) (2560B) (94208B) (188416B) (2560B) (94208B) [182272B] (518656B) (521728B) (518656B) (521728B) (176048640B) (352097280B) (352097280B) (352097280B) (352097280B) (704194560B) (8802816B) (184521728B) (369043456B) (369043456B) (369043456B) (369043456B) (738086400B) (9226240B) (212336640B) (424673280B) (424673280B) (424673280B) (424673280B) (849346560B) (10616832B) (154126336B) (308252160B) (308252160B) (308252160B) (308252160B) (616504320B) (7706624B) (200764928B) (401529856B) (401529856B) (401529856B) (401529856B) [67155456B] = 11368347136B

Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted.

The gpus are having 12GB memory (please see the attached image). The dataset details : box size = 360 x 360 px

particles = 360 k

Movies are 30 frames from FIII detector. Using: RELION version: 3.1.0-commit-87c294

Please help to understand the problem. Thank you.

maxgpu3_3p14t

biochem-fan commented 3 years ago

Please run Class2D on shiny.star and remove particles with defects.