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Shtools - Shell Tools for BigPurple HPC

This repository contains a collection of shell scripts and utility functions for working with the SLURM BigPurple High-Performance Computing (HPC) environment at NYU Langone Health.

Repository Organization

Root Scripts

  • bpcn - Connect to BigPurple compute nodes with custom resource requirements
  • bpdownload - Download data from BigPurple to local machine
  • bpupload - Upload data from local machine to BigPurple
  • bpinfo - Get information about the BigPurple cluster job queue

Template Scripts Directory

Bioinformatics Scripts

Located in bioinformatics:

  • fastp.sh - SLURM job for FASTQ quality control with fastp
  • fastq_functions.sh - Functions for FASTQ file handling
  • featureCounts_functions.sh - Process featureCounts output files
  • gather_fastqs.sh - Perl script to collect and organize FASTQ files
  • get_references - Generate reference genome settings
  • kallisto.sh - SLURM job for RNA-seq quantification with Kallisto
  • multiqc.sh - Run MultiQC for quality control report generation
  • samtools.sh - SLURM job for samtools depth calculations

General Utility Scripts

Located in general:

  • download_urls.sh - Functions to download files from URLs
  • general_functions.sh - Common utility shell functions
  • generate_scripts.sh - Generate SLURM job scripts for R and Python
  • join-many.sh - Join multiple tab or comma-separated files

Parallel Computing Scripts

Located in parallel:

  • spark_jupyter.sh - SLURM job script for setting up Jupyter with Spark
  • spark.sh - Configure Spark cluster on SLURM

Installation

Clone this repository to your local machine:

git clone https://github.com/mattmuller0/Shtools.git

Usage

Connecting to BigPurple

To connect to a BigPurple compute node with custom resource requirements, use the bpcn script:

bpcn -m 8G -c 1 -t 4:00:00

This command will request 8GB of memory, 1 CPU, and a time limit of 4 hours. You can adjust these parameters as needed.

BPCN Script Setup

In order to use the bpcn script, you need to edit your .zshrc file to see the bpcn alias or autoload the script. You can do this by adding the following lines to your .zshrc file:

fpath=(/path/to/Shtools $fpath)
autoload -Uz bpcn

or by setting up an alias in your .zshrc file:

alias bpcn='/path/to/Shtools/bpcn'

It is currently set to look for the hpc host in your ssh config file. Once that is done, you need to add an include header for ~/.ssh/configx to your ~/.ssh/config file. Here is an example of what your config file might look like:

include ~/.ssh/configx

Host *
    ForwardAgent yes
    AddKeysToAgent yes

Host hpc
    HostName bigpurple.hpc.nyumc.org
    User your_username
    IdentityFile ~/.ssh/your_key

Requirements

  • SSH access to BigPurple HPC environment
  • SSH key configured for secure access with hostname hpc

Contributing

Feel free to submit issues or pull requests with improvements or new features.

License

MIT License

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