add TACC/ singularity to docs

[adelavega]

try running neuroscout-cli on TACC using singularity and document experience (formally) in the official docs.

[adelavega]

@rbroc showed interested in learning how to use TACC and singularity, so this might be a good issue for her to tackle. we'll discuss next thursday.

[adelavega]

@jdkent if you have some free cycles would you mind adding a singularity section to the neuroscout docs with your experience running this on TACC?

if you are interested, let me know if you need any help compiling the docs.

I imagine your example applies to all SLURM based systems.

Here's some good inspo too: https://fmriprep.org/en/latest/singularity.html

[jdkent]

my example workflow for easy reference:

Here is my workflow for running neuroscout on tacc:

• cd $WORK (not recommended to write files to home)
• idev (wait for tacc to give you a compute node)
• module load tacc-singularity
• singularity pull docker://neuroscout/neuroscout-cli:version-0.4.1 (create the singularity image)
• exit (logout of the idev session)

create a job file that looks like this:

#!/bin/bash
#SBATCH -J neuroscout3            # job name
#SBATCH -o /work/07723/jdk3232/lonestar/test_neuroscout.o%j
#SBATCH -N 1                # number of nodes requested
#SBATCH -n 24               # total number of mpi tasks requested
#SBATCH -p development      # queue (partition) -- normal, development, etc.
#SBATCH -t 01:30:00         # run time (hh:mm:ss) - 1.5 hours
#SBATCH --mail-user=james.kent@austin.utexas.edu
#SBATCH --mail-type=begin   # email me when the job starts
#SBATCH --mail-type=end     # email me when the job finishes
module load tacc-singularity
# test neuroscout
singularity run \
    --cleanenv \
    ${WORK}/neuroscout-cli_version-0.4.1.sif run \
        --n-cpus 24 \
        --work-dir ${SCRATCH}/data \
        --neurovault disable \
        ${SCRATCH}/tst M8Zv5