BlueBrain/neuron-docker-spack

Minimal Docker image for NEURON development

docker build -t neuron-dev -f "Dockerfile.min" .
docker run -it neuron-dev bash

Spack Based Docker Image for NEURON Simulations

Create SSH key-pair
```
ssh-keygen -t rsa -N "" -f docker_rsa
```
Add SSH public key to the server (bbpcode.epfl.ch)

Clone repository

https://github.com/pramodk/neuron-docker-spack.git
cd neuron-docker-spack

Build image (make sure to use your username on the 'ldap_username' parameter)

docker build --build-arg username=kumbhar --build-arg password=kumbhar123 --build-arg git_name="Pramod Kumbhar" --build-arg git_email="pramod.s.kumbhar@gmail.com"  --build-arg ldap_username=<YourUsername> -t cellular .

This will build neuron based simulation toolchain and prepare test simulation.

To run a simulation within a container:

docker run -i -t cellular:latest /bin/bash
cd sim/build/circuitBuilding_1000neurons/
module load neurodamus/master
mpiexec -n 6 --host localhost:6 --allow-run-as-root special $HOC_LIBRARY_PATH/init.hoc -mpi

To run a simulation by launching a container:

docker run -i -t cellular:latest /bin/bash -c -i 'cd $HOME/sim/build/circuitBuilding_1000neurons && module load neurodamus/master && mpiexec -n 6 --host localhost:6 --allow-run-as-root special $HOC_LIBRARY_PATH/init.hoc -mpi'

You can change the neurodamus module you want to load for your simulation. The installed ones are:

neurodamus/master
neurodamus-neocortex
neurodamus-hippocampus
neurodamus-thalamus

For the circuitBuilding only the neurodamus/master and neurodamus-neocortex will work, because the mod files are compiled for neocortex.

To run on multiple docker containers:

Update docker-compose.yml specification with appropriate number of compute nodes (scale parameter in node service)
Launch containers with docker-compose
Find compute nodes IP

Run simulation on the running containers

# start cluster
$ docker-compose up -d

# check cluster running
$ docker ps
CONTAINER ID        IMAGE               COMMAND               CREATED             STATUS              PORTS                   NAMES
0b2b5386ce12        cellular:latest     "/usr/sbin/sshd -D"   8 minutes ago       Up 3 minutes        0.0.0.0:32770->22/tcp   neurondockerspack_login_1
1643c10a96af        cellular:latest     "/usr/sbin/sshd -D"   8 minutes ago       Up 3 minutes        22/tcp                  neurondockerspack_node_1
7ac4b751c574        cellular:latest     "/usr/sbin/sshd -D"   8 minutes ago       Up 3 minutes        22/tcp                  neurondockerspack_node_3
60ec8d0e7052        cellular:latest     "/usr/sbin/sshd -D"   8 minutes ago       Up 3 minutes        22/tcp                  neurondockerspack_node_2

# find ip of compute node
$ PROC_PER_NODE=2
$ COMPUTE_NODES=`docker ps -q --filter "name=node_" | xargs docker inspect --format "{{range .NetworkSettings.Networks}}{{.IPAddress}}{{end}}" | xargs echo | sed -e $"s/ /:$PROC_PER_NODE,/g"`:$PROC_PER_NODE

# make sure nodes are connected (username used inside container)
$ USERNAME=kumbhar
$ docker-compose exec --user $USERNAME --privileged login /bin/bash -c -i "\$MPIEXEC -n 6  --host $COMPUTE_NODES \$HOME/test/hello"
Hello world from processor 1643c10a96af, rank 0 out of 6 processors
Hello world from processor 1643c10a96af, rank 1 out of 6 processors
Hello world from processor 60ec8d0e7052, rank 2 out of 6 processors
Hello world from processor 60ec8d0e7052, rank 3 out of 6 processors
Hello world from processor 7ac4b751c574, rank 4 out of 6 processors
Hello world from processor 7ac4b751c574, rank 5 out of 6 processors

# run simulation using multiple containers
$ docker-compose exec --user $USERNAME --privileged login /bin/bash -c "cd \$HOME/sim/build/circuitBuilding_1000neurons && . \$SPACK_ROOT/share/spack/setup-env.sh && module load neurodamus/master && \$MPIEXEC -x HOC_LIBRARY_PATH -n 6 --host $COMPUTE_NODES \$SPECIAL \$HOC_LIBRARY_PATH/init.hoc -mpi"
....
numprocs=6
NEURON -- VERSION + master (9f36b13+) 2018-08-28
Duke, Yale, and the BlueBrain Project -- Copyright 1984-2018
See http://neuron.yale.edu/neuron/credits
Additional mechanisms from files
....
create file ./out.dat
              Event Label  Node  MinTime  Node  MaxTime
accum                    Synapse init     4     0.00     5     0.04
accum                       file read     0     0.00     0     0.00
accum                     Replay init     0     0.00     0     0.00
accum                         stdinit     2     0.13     4     0.18
accum                          psolve     4     9.79     3     9.82
 memusage node 0 according to nrn_mallinfo:
     59.289062MB

# remove containers
$ docker-compose stop && docker-compose down

Notes :
- Do not push the image
- Remove ssh key from server once the image is built
- Todo : need to squash all layes

Funding & Acknowledgment

The development of this software was supported by funding to the Blue Brain Project, a research center of the École polytechnique fédérale de Lausanne (EPFL), from the Swiss government's ETH Board of the Swiss Federal Institutes of Technology.