Mr. Bayes

MrBayes is a program for Bayesian inference and model choice across a wide range of phylogenetic and evolutionary models. MrBayes uses Markov chain Monte Carlo (MCMC) methods to estimate the posterior distribution of model parameters.

PBS Submission Script

#!/bin/sh
#$ -pe openmpi 4
#$ -cwd
#$ -N myname

source /usr/modules/init/bash
module load openmpi openmpi-apps/1.6.4/mrbayes

mpirun -np $NSLOTS mb myfile.nex

Slurm submission script

#!/bin/sh
#SBATCH -N 4
#SBATCH -J myname

source /usr/modules/init/bash
module load openmpi openmpi-apps/1.10.2/mrbayes

mpirun mb myfile.nex

Autobayes

not for slurm

The autobayes tool is made up of two simple scripts.

The first script (autobayes.sh) is a submission script which reads a list file and parses the instructions to find the number of defined chains to figure out the optimal number of processors to ask for in the submission. Make sure you change the permissions to make it executable after you create the file (chmod 755 autobayes.sh)
The second is the script that is actually submitted to the scheduling system in order to run the job.

Autobayes for PBS

autobayes.sh

 #!/bin/sh

 # Check to see if we have the filelist specified  
 if [ $# -ne 1 ] ; then  
        echo "Usage: $0 [filelist]"  
        exit 1  
 fi  
 # Does the filelist exist?  
 if [ ! -f "$1" ] ; then  
        echo "File: $1 does not exist"  
        exit 1  
 fi

 ORIGPATH=$PWD

 for i in `grep -v "^;" $1` ; do  
        echo "------------------------------------------------------------"  
        if [ -f "$i" ] ; then  
        MBPATH=`dirname $i`  
        MBFILE=`basename $i`  
        MBNAME="mb-`basename $i .nex`"

        echo "Moving to $MBPATH"  
        cd $MBPATH

        if [ -f "$MBFILE.log" ] ; then rm -f "$MBFILE.log" ; fi  
        # Get the number of chains from the mb instructions  
        NCHAINS=`grep nchains $MBFILE | sed -e 's/^.*nchains=\(.*\) .*/\1/'`  
        NCHAINS=`grep nchains $MBFILE | sed -e 's/^.*nchains=\([1-9\)\s.*$/\1/'`  
        # The optimal amount of processors to run is #chains*#runs  
        # the default for number of runs is 2.  If this is different the  
        # following needs variable to be changed  
        if [ "x" == "x$NCHAINS" ] ; then  
           NCHAINS=1  
        fi  
        NRUNS=2  
        NPROCS=$((NCHAINS*NRUNS))  
        echo "Submitting $MBFILE with $NPROCS processors"  
        qsub \  
     -l nodes=$NPROCS \  
                -o $MBFILE.log \  
                -j oe \  
     -v FILE=$MBFILE,DIR=$MBPATH \  
     -N $MBNAME \  
                $ORIGPATH/mrbayes.qsub  
        else  
        echo "File not found: $i"  
        echo "...............SKIPPING!!!!"  
        fi  
        sleep 1  
 done  
 exit 0

`mrbayes.qsub`

 #!/bin/sh  
 #PBS -q default

 . /usr/modules/init/bash  
 module load openmpi openmpi-apps/1.6.4/mrbayes

 cd $DIR  
 mpirun mb $FILE

Autobayes for SGE

`autobayes.sh`

#!/bin/sh

 # Check to see if we have the filelist specified  
 if [ $# -ne 1 ] ; then  
        echo "Usage: $0 [filelist]"  
        exit 1  
 fi  
 # Does the filelist exist?  
 if [ ! -f "$1" ] ; then  
        echo "File: $1 does not exist"  
        exit 1  
 fi

 MYPATH=$PWD

 MPIENV="openmpi"  
 QSUBPE="orte"  
 # Check to see if we are on the OSX cluster  
 if [ "$(uname)" == "Darwin" ] ; then  
        MPIENV="lam-mpi"  
        QSUBPE="lam-mpi-new"  
 fi

 for i in `grep -v "^;" $1` ; do  
        echo "------------------------------------------------------------"  
        if [ -f "$i" ] ; then  
        ###################################################################  
        MBPATH=`dirname $i`  
        MBFILE=`basename $i`

        echo "Moving to $MBPATH"  
        cd $MBPATH  
        if [ -f "$MBFILE.out" ] ; then rm -f "$MBFILE.out" ; fi  
        if [ -f "$MBFILE.err" ] ; then rm -f "$MBFILE.err" ; fi

        # Get the number of chains from the mb instructions  
        NCHAINS=`grep nchains $MBFILE | sed -e 's/^.*nchains=\(.*\) .*/\1/'`  
        # The optimal amount of processors to run is #chains*#runs  
        # the default for number of runs is 2.  If this is different the  
        # following needs variable to be changed  
        NRUNS=2  
        NPROCS=$((NCHAINS*NRUNS))  
        echo "Submitting $MBFILE with $NPROCS processors"  
        qsub    -pe $QSUBPE $NPROCS \  
                -o $MBFILE.out \  
                -e $MBFILE.err \  
                -v MBFILE=$MBFILE \  
                -v MPIENV=$MPIENV \  
                $MYPATH/mrbayes.qsub  
        ###################################################################  
        else  
        ###################################################################  
        echo "File not found: $i"  
        echo "...............SKIPPING!!!!"  
        ###################################################################  
        fi  
        sleep 1  
 done  
 exit 0

mrbayes.qsub

 #!/bin/sh  
 #$ -cwd  
 #$ -N autobayes

 . /usr/modules/init/bash  
 module load $MPIENV

 mpirun -np $NSLOTS `which mb` $MBFILE

Running autobayes

Create an autobayes list

An autobayes list is simply a file which contains the path to the mb instruction file (can be the nexus file if the mb instructions are embedded). It uses a ';' semicolon for its comment character. Example:

; my_mb_files.list  
 ; This is the auto-bayes list file  
 ; Comments begin with a semi-colon and are ignored  
 ; To work correctly you must use the full path to the mr. bayes  
 ; instruction file (or nex file if you've embedded your  
 ; instructions there.  
 /mnt/home/rlyon/test/manual/mrbayes.1.test  
 /mnt/home/rlyon/test/manual/mrbayes.2.test



Once you have created the list you can use the auto-bash.sh script to submit all the files in the list to the cluster.


# ./autobayes.sh my_mb_files.list

SGE Submission Script

#!/bin/sh
#$ -pe openmpi 4
#$ -cwd
#$ -N myname

. /usr/modules/init/bash
module load openmpi openmpi-apps/1.6.4/mrbayes

mpirun -np $NSLOTS mb myfile.nex