PEET on Biowulf
PEET is a set of programs, separate from but typically used in conjunction with IMOD, to align and average particles / subvolumes extracted from 3D volumes.
References:
- PEET was developed at the University of Colorado, Boulder. PEET was first applied for averaging axonemes and its methods were described in Nicastro et al 2006. Many new features have since been added, including clustering / classification as described in Heumann et al 2011. Please cite these papers if you use PEET in your research. /li>
Documentation
Important Notes
- Module Name: PEET (see the modules page for more information)
- Used in conjunction with IMOD
- Environment variables set
- PARTICLE_DIR
Interactive job
Interactive jobs should be used for debugging, graphics, or applications that cannot be run as batch jobs.
Allocate an interactive session and run the program.
Sample session (user input in bold):
[user@biowulf]$ sinteractive salloc.exe: Pending job allocation 46116226 salloc.exe: job 46116226 queued and waiting for resources salloc.exe: job 46116226 has been allocated resources salloc.exe: Granted job allocation 46116226 salloc.exe: Waiting for resource configuration salloc.exe: Nodes cn3144 are ready for job [user@cn3144 ~]$ module load PEET [user@cn3144 ~]$ averageAll Starting averageAll_mce ... This is PEET Version 1.12.0 5-March-2018. Copyright 2000-2018 The Regents of the University of Colorado. MATLAB. Copyright 1984-2018 The Mathworks, Inc. [...] [user@cn3144 ~]$ exit salloc.exe: Relinquishing job allocation 46116226 [user@biowulf ~]$
Batch job
Most jobs should be run as batch jobs.
Create a batch input file (e.g. PEET.sh). For example:
#!/bin/bash set -e module load PEET PEET < PEET.in > PEET.out
Submit this job using the Slurm sbatch command.
sbatch [--cpus-per-task=#] [--mem=#] PEET.sh
Swarm of Jobs
A swarm of jobs is an easy way to submit a set of independent commands requiring identical resources.
Create a swarmfile (e.g. PEET.swarm). For example:
PEET < PEET.in > PEET.out PEET < PEET.in > PEET.out PEET < PEET.in > PEET.out PEET < PEET.in > PEET.out
Submit this job using the swarm command.
swarm -f PEET.swarm [-g #] [-t #] --module PEETwhere
-g # | Number of Gigabytes of memory required for each process (1 line in the swarm command file) |
-t # | Number of threads/CPUs required for each process (1 line in the swarm command file). |
--module PEET | Loads the PEET module for each subjob in the swarm |