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CCPEM  November 2017

CCPEM November 2017

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Subject:

Cluster Movie Refinement in Relion2.0 and 2.1-b1

From:

Neil Rzechorzek <[log in to unmask]>

Reply-To:

Neil Rzechorzek <[log in to unmask]>

Date:

Sun, 19 Nov 2017 15:05:26 +0000

Content-Type:

text/plain

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text/plain (81 lines)

Dear all,

Just to pick up on Leonid Sazanov's post on October 27th:

"Also, there seems to be a new bug in the GUI for movie refinement job - 
the second part of the job (movie refinement) tries to start straight 
away, before the first part (movie particle extraction) is finished and 
so the whole job crashes due to lack of movie particles. We work around 
that by submitting two separate command line jobs, but would be good to 
fix this in GUI."

We too note this issue for Relion 2.1-b1 when trying to run on a GPU 
cluster.  For whatever reason, much of the GUI input is not translated 
to a full command.  Here's the command actually issued instead:

mpirun -N 5 -n 5 
/usr/local/Cluster-Apps/relion-gpu/2.1.b1-wilkes-2/bin/relion_refine_mpi 
--o MovieRefine/job132/run_ravg7_off1 --continue 
./Refine3D/job064/run_it014_optimiser.star --process_movies_in_batches 
--realign_movie_frames MovieRefine/job132/micrographs_movie_list.star 
--movie_frames_running_avg 7 --movie_name movie --sigma_off 1 
--skip_rotate --skip_maximize  --j 1

This immediately fails as it tries to look for 
micrographs_movie_list.star in the new job folder (job132), where it 
doesn't reside.

Interestingly, running with the exact same GUI settings and data from 
Relion 2.0 generates a much fuller command:

mpirun -ppn 3 -np 3 
/usr/local/Cluster-Apps/relion-gpu/2.0/bin/relion_preprocess_mpi --i 
./MotionCorr/job004/corrected_micrograph_movies.star 
--reextract_data_star Refine3D/job064/run_it014_data.star --part_dir 
MovieRefine/job090/ --list_star 
MovieRefine/job090/micrographs_movie_list.star --join_nr_mics 50 
--extract --extract_movies --extract_size 284 --movie_name movie 
--first_movie_frame 2 --last_movie_frame 0 --avg_movie_frames 1 --scale 
142 --norm --bg_radius 53 --white_dust -1 --black_dust -1 --invert_contrast

(note, this is necessarily running on a different cluster that uses 
different MPI libraries, hence the different MPI flags - however, all 
other processes tried so far with both 2.0 and 2.1-b1 work absolutely fine).

The extra challenge I have is that even the 2.0 job does not run to 
completion.  The GUI-issued command does the initial re-extraction but 
then does not launch the second process of refinement.  Even trying to 
use Continue does not get the second process running - the log file 
notes that extraction is skipped (as the program can see it has already 
been done), but then nothing else happens.  There are no error messages 
or unusual exit codes that I can see.

In short I can't get movie refinement to run with either 2.0 or 2.1-b1.  
Short of trying command-line job submission, does anyone have any 
potential solutions?

Many thanks,

Neil




-- 
Dr. Neil Rzechorzek
Department of Biochemistry
University of Cambridge
Sanger Building
80 Tennis Court Road
Cambridge, UK
CB2 1GA

www.bioc.cam.ac.uk

Advisory Chairman - Entrepreneurial Postdocs Of Cambridge

www.epoc.group.cam.ac.uk

Email:  [log in to unmask]
Tel:  +44 (0)1223 333652

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