Script to setup a virtualenv, ready for GPU programming using theano and lasagne, on the guillimin *or* helios clusters

setup-theano-lasagne.sh

#
#	usage: 	$ bash setup-theano-lasagne.sh my-env-dir
#
# For use on helios.computecanada.ca OR guillimin.hpc.mcgill.ca.  
# Creates a python virtual env at the directory specified by the first 
# command line argument, then installs numpy, scipy, theano, and lasagne.
# Also prints handy instructions for using the virtualenv to submit
# jobs using the queing system, or get an interactive session.
#

# Collect install-path variables
install_dir=$(readlink -f $1)

# Notify user installation is starting
echo "preparing virtualenv installation at $install_dir"

# Install modules.  These can be in different places depending on if 
# we're on guillimin or helios clusters
# First, try for helios locations (note on helios we also load git)
module load apps/python/2.7.10 apps/git/1.8.5.3 &>/dev/null

# Did it work?
if [ $? -eq 0 ]; then
	echo "module loaded successfuly; we seem to be on helios";
	cluster='helios';

# If not, try loading modules from locations expected when on gillimin
else

	module load Python/2.7.10 &>/dev/null;

	# Did it work?
	if [ $? -eq 0 ]; then
		echo "module loaded successfuly; we seem to be on guillimin";
		cluster='guillimin';

	# If not, give up
	else
		echo "modules couldn't be loaded.  Exiting."
		exit 1;
	fi

fi

# Try making a virtualenv
virtualenv $install_dir &>/dev/null;

# If it failed, try to install or add the binary path and retry
if [ $? -ne 0 ]; then

	# If virtualenv is installed, ensure user-specific python binaries
	# are on PATH and try again
	if [ -a ~/.local/bin/virtualenv ]; then

		PATH=~/.local/bin:$PATH;
		virtualenv $install_dir &>/dev/null;

		# If that doesn't work, give up
		if [ $? -ne 0 ]; then
			echo "Cannot find virtualenv binary.  Install it and\
			making sure it's on your PATH, then retry this script.";
			exit 1;
		fi

	# If virtualenv isn't installed, then install it, and try running
	# it again.
	else
		pip install --user virtualenv;
		PATH=~/.local/bin:PATH;
		virtualenv $install_dir &>/dev/null

		# If that doesn't work, give up
		if [ $? -ne 0 ]; then
			echo "Cannot find virtualenv binary.  Install it and\
			making sure it's on your PATH, then retry this script.";
			exit 1;
		fi
	fi
fi

source $install_dir/bin/activate
pip install numpy scipy
pip install -r https://raw.githubusercontent.com/Lasagne/Lasagne/v0.1/requirements.txt
pip install Lasagne==0.1

# Give user a usage message
# First, figure out what modules they need to load (depends on the cluster)
# and figure out the queue submission command (these are both to be included
# in the user message to follow
if [ $cluster == 'guillimin' ]; then
	modules_to_load="Python/2.7.10 CUDA/7.5.18 cuDNN/5.0-ga";
	interactive_sub="qsub -I -l nodes=1:ppn=1:gpus=1 -l walltime=3:00:00 ";
	interactive_sub=$interactive_sub"-A xxx-###-xx";
else
	modules_to_load="apps/python/2.7.10 cuda/7.5.18 libs/cuDNN/4";
	interactive_sub="msub -I -l nodes=1:gpus=1 -l walltime=3:00:00 ";
	interactive_sub=$interactive_sub"-A xxx-###-xx";
fi

echo -e "\n"
echo -e "****\n"
echo -e "All done.  Whenever you start working, type these commands to make numpy, scipy, theano, and lasagne available (also put them at the top of job scripts):\n\n\tmodule load $modules_to_load \n\tsource $install_dir/bin/activate\n\nRemember to set the device, e.g. by doing:\n\n\tTHEANO_FLAGS='floatX=float32,device=gpu' python myscript.py\n\nNote that you can only use gpus on jobs submitted through the queueing system.  But you can request an 'interactive' job by doing\n\n\t$interactive_sub\n\nReplacing xxx-###-xx with your RAP ID.  Your will then be taken to an interactive session on an actual copute node, and you can run code on gpus.\n"
echo "****"
echo -e "\n"