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BEAST on Biowulf

BEAST (Bayesian Evolutionary Analysis Sampling Trees) is a cross-platform program for Bayesian MCMC analysis of molecular sequences. It is entirely orientated towards rooted, time-measured phylogenies inferred using strict or relaxed molecular clock models. It can be used as a method of reconstructing phylogenies but is also a framework for testing evolutionary hypotheses without conditioning on a single tree topology. BEAST uses MCMC to average over tree space, so that each tree is weighted proportional to its posterior probability. We include a simple to use user-interface program for setting up standard analyses and a suit of programs for analysing the results.


Important Notes

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@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 ~]$ mkdir /data/$USER/BEAST; cd /data/$USER/BEAST
[user@cn3144 BEAST]$ module load BEAST
[user@cn3144 BEAST]$ cp $BEAST_EXAMPLES/benchmark1.xml .
[user@cn3144 BEAST]$ beast benchmark1.xml

[user@cn3144 BEAST]$ 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. BEAST.sh). For example:

module load BEAST
beast -threads $SLURM_CPUS_PER_TASK myinput.xml

Submit this job using the Slurm sbatch command.

sbatch [--cpus-per-task=#] [--mem=#] BEAST.sh
Running on GPUs

Under some circumstances, GPUs can greatly accelerate computation. Include -beagle_GPU -beagle_order 2,1,0 with the beast commandline:

beast -beagle_GPU -beagle_order 2,1,0 myinput.xml

and be sure to allocate GPUs:

sbatch --constraint=gpuk80 --gres=gpu:k80:2 sbatch.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. BEAST.swarm). For example:

beast -threads $SLURM_CPUS_PER_TASK -prefix input1 input1.xml
beast -threads $SLURM_CPUS_PER_TASK -prefix input2 input2.xml
beast -threads $SLURM_CPUS_PER_TASK -prefix input3 input3.xml
beast -threads $SLURM_CPUS_PER_TASK -prefix input4 input4.xml

Submit this job using the swarm command.

swarm -f BEAST.swarm [-g #] [-t #] --module BEAST
-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 BEAST Loads the BEAST module for each subjob in the swarm