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Ginsburg is currently running Red Hat Enterprise Linux release 8.2.
The table below shows software already installed on the cluster system-wide.
The list may be partial and not totally up-to-date at any given time.
Use the following command to verify whether unlisted software/packages can be found on Ginsburg otherwise:
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$ module avail |
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Table of Contents |
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Ginsburg is currently running Red Hat Enterprise Linux release 8.2.
The table below shows software already installed on the cluster system-wide.
The list may be partial and not totally up-to-date at any given time.
Use the following command to verify whether unlisted software/packages can be found on Ginsburg otherwise:
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$ module avail |
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For a good guide on how to use environment modules to easily load your software environment, please see: |
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Name | Version | Location / Module | Category |
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AFNI | 23.1.05 | module load AFNI/23.1.05 | Analysis of Functional Neuro Images |
Anaconda Python 3.11.5 2023.09 | Python 3.11.5 | module load anaconda/3-2023.09 | Python for Scientific Computing |
Anaconda Python 2.7.16 2019.10 | Python 2.7.16 | module load anaconda/2-2019.10 | Python for Scientific Computing |
ancestry_hmm | ancestry_hmm | module load ancestry_hmm/0.94 | Program designed to infer adaptive introgression from population genomic data. |
ANTs | 2.4.4 | module load ANTs/2.4.4 | ANTs computes high-dimensional mappings to capture the statistics of brain structure and function |
BCFtools | 1.18 | module load bcftools/1.18 | Reading/writing BCF2/VCF/gVCF files and calling/filtering/summarising SNP and short indel sequence variants |
cactus | 2.6.7 | module load cactus/2.6.7 | Comparative Genomics Toolkit |
candi | 9.4.2-r3 | module load candi/9.4.2-r3 | The |
cuda | 12.0 | module load cuda12.0/toolkit | GPU Computing |
cudnn | 8.0 | module load cudnn8.0-cuda11.1 | CUDA Deep Neural Network library |
freesurfer | 7.4 | module load freesurfer/7.4 | Brain imaging software |
FSL | 6.0.5.2 | module load FSL/6.0.5.2 | Analysis tools for FMRI, MRI and DTI brain imaging data |
gcc | 13.0.1 | module load gcc/13.0.1 | Compiler - C / C++ |
glpk | 5.0 | module load glpk/5.0 | C library for solving large-scale linear programming (LP), mixed integer programming (MIP) |
gurobi | 10.0.3 | module load gurobi/10/0/3 | Prescriptive analytics platform and a decision-making technology |
hdf5 | 1.10.1 | module load hdf5/1.10.1 | High performance data software library & file format |
htslib | 1.19 | module load htslib/1.19 | A C library for reading/writing high-throughput sequencing data |
Intel oneAPI toolkit | various | module load intel-oneAPI-toolkit <library> | Core set of tools and libraries for developing high-performance, data-centric applications across diverse architectures. |
intel-parallel-studio | 2020 Update 4 | module load intel-parallel-studio/2020 | Intel Compiler |
julia | 1.5.3 | module load julia/1.5.3 | Programming Language |
knitro | 13.2.0 | module load knitro/13.2.0 | Software package for solving large scale nonlinear mathematical optimization problems; short for "Nonlinear Interior point Trust Region Optimization" |
lastz | 1.04.15 | module load lastz/1.04.15 | A program for aligning DNA sequences, a pairwise aligner. |
LBPM | 22.08 | module load LBPM/22.08 | Model flow processes based on digital rock physics |
leptonica | 1.83.0 | module load leptonica/1.83.0 | A ipedagogically-oriented open source library containing software that is broadly useful for image processing and image analysis |
libRadtran | 2.0.5 | modulel load libRadtran/2.0.5 | A library for radiative transfer |
Mathematica | 13.2 | module load Mathematica/13.2 | Numerical Computing |
Matlab | 2023a | module load matlab/2023a | Numerical Computing |
metis | 5.1.0 | module load metis/5.1.0 | A set of serial programs for partitioning graphs, partitioning finite element meshes. |
MUMPS | 5.6.2 | module load mumps/5.6.2 | MUltifrontal Massively Parallel Sparse direct Solver |
netcdf-fortran-intel | 4.5.3 | module load netcdf-fortran-intel/4.5.3 | Array Interface Library |
netcdf/gcc | 4.7.4 | module load netcdf/gcc/64/gcc/64/4.7.4 | Array Interface Library |
Nextflow | 23.10.0 | module load nextflow/23.10.0 | Enables scalable and reproducible scientific workflows using software containers. |
occsw | V2022.3 | module load ocssw | Ocean Color Science Software, CLI version |
octave | 5.2.0 | module load octave | Installed on all compute nodes, start with 'octave'. Mathematics-oriented syntax with built-in 2D/3D plotting and visualization |
OpenFOAM | v2206 | module load OpenFOAM/v2206 | Computational fluid dynamics. |
openmpi | 4.1.5a1 | openmpi/gcc/64/4.1.5a1 | OpenMPI Compiler |
Quantum Espresso | 7.2 | module load QE/7.2 | Quantum Espresso |
R | 3.6.3 | module load R/3.6.3 | Programming Language |
R | 4.3.1 | module load R/4.3.1 | Programming Language |
samtools | 1.19 | module load samtools/1.19 | Suite of programs for interacting with high-throughput sequencing data |
ScaLAPACK | 2.2.0 | module load scalapack/2.2.0 | Scalable Linear Algebra PACKage |
Schrodinger | 2024-1 | module load schrodinger/2024-1 | Modeling, analysis and computational tasks |
SeaDAS | 8.4.1 | module load seadas/8.4.1 | A comprehensive software package for the processing, display, analysis, and quality control of ocean color data. Requires XQuartz on a Mac or Mobaxterm on Windows. |
Singularity | 3.7.1 | module load singularity/3.7.1 | Run Docker-like containers |
Stata | 18 | module load stata/18 | General-purpose statistical software |
stopos | 0.93 | module load stopos | Create and manage computing tasks |
tesseract | 5.3.1 | module load tesseract | OCR |
VCFTools | 0.1.17 | module load vcftools/0.1.17 | A set of tools written in Perl and C++ for working with VCF files |
vim | 9.1 | module load vim/9.1 | vi improved test editor |
Visual Studio Code Server | Not a module | A server side Integrated Development Environment hosted on Ginsburg compute nodes | |
WIEN2k | WIEN2k_21.1 | module load WIEN2k_21.1 | Perform electronic structure calculations of solids using density functional theory. |
workbench | 1.5.0 | module load workbench/1.5.0 | Visualization and Discovery tool used to map neuro-imaging data |
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srun -X -A <GROUP> --pty -t 0-0102:00 -X /bin/bash OR, if you want a GPU node srun -X -A <GROUP> --pty -t 0-0102:00 -X --gres=gpu:1 /bin/bash |
Load the Singularity module:
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module load singularity |
This next step will take a few minutes and will only NEXT, a number of steps need to be done the first time you launch this application. On subsequent sessions you skip this step as the container is downloaded:
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singularity pull --name rstudio.simg docker://rocker/rstudio:4.3.1 |
In order for RStudio to start in a browser via an interactive session you will need the IP address of the compute node. Note that the IP below will likely be different for you:
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IP_ADDR=`hostname -i`
echo $IP_ADDR
10.197.16.39 |
From RStudio 4.2 and later, some added security features require binding of a locally created database file to the database in the container. Don't forget to change the password.
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mkdir -p run var-lib-rstudio-server
printf 'provider=sqlite\ndirectory=/var/lib/rstudio-server\n' > database.conf
PASSWORD='CHANGEME' singularity exec \
--bind run:/run,var-lib-rstudio-server:/var/lib/rstudio-server,database.conf:/etc/rstudio/database.conf \
rstudio.simg \
/usr/lib/rstudio-server/bin/rserver --auth-none=0 --auth-pam-helper-path=pam-helper --server-user=$USER |
This will run the Rstudio server
in a Singularity container.
PART 2: Port forwarding and access from your browser
Now open another Terminal and start the RStudio rserver
session using Port Forwarding to connect a local port on your computer to a remote one on Ginsburg.
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ssh -Nf -L 8787:10.197.16.39:8787 myUNI@burg.rcs.columbia.edu |
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NOTE FOR WINDOWS USERS:
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that have been collected into a simple script.
Type "RSserver.sh" (without the quotes) to execute the container setup script. For those interested, the script echos the commands it's running as it runs them.
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IF YOU GET AN ERROR such as simply re-run the script and enter a different port number instead of the default of 8787 (the script will prompt you). Try 8788, or 8789, etc |
PART 2: Port forwarding and access from your browser
The Rstudio server is now running in a container in one window. Now you will open another window and create a Port Forwarding connection so your web browser will be able to connect to a port on your local machine, that forwards the connection to the remote container.
If you're on a Mac or Linux machine, open a second Terminal and start the RStudio rserver
port forwarding with the below command:
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ssh -Nf -L 8787:10.197.16.39:8787 myUNI@burg.rcs.columbia.edu <-- the "10.197.16.39" IP number is ONLY for demonstration. The above script will have given you the real IP you will be using. |
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NOTE FOR WINDOWS USERS: If you are using Windows Subsystem for Linux (WSL/WSL2), then the above line work fine, BUT remember to forward the WSL session ports to the Windows browser. Set the System Browser as the WSL default and open |
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to open links. Other Windows users instead need to refer to the port forwarding directions below. |
The above Port Forwarding line works on Linux/Unix/MacOS, or any virtual machine running Linux. For Windows, we are assuming you are using PuTTY and the above line would be accomplished using the alternative steps below:
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Next, use a web browser to connect to to your locally forwarded port.
In any web browser, e.g., Google Chrome, enter localhost:8787
. The login screen for RStudio will appear and you enter your UNI (without the @columbia.edu) and whatever password you put from the above example (where it says CHANGME
). If you need a session that last longer than an hour you can add --auth-timeout-minutes=0 --auth-stay-signed-in-days=30
to the end of the above singularity
. command. A sample Slurm bash script is available at Rocker Project's Singularity page. If you run into an error such as [rserver] ERROR system error 98 (Address already in use),
you can specify the port number as an additional option, e.g., --www-port 8788
. The new command could look like this:
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Safari or Edge, enter localhost:8787 (or a different number after the colon, if you received an error above and had to choose another port)
.
The login screen for RStudio will appear and you enter your UNI (without the @columbia.edu) and whatever password you entered in the setup script.
A sample Slurm bash script is available at Rocker Project's Singularity page.
***IMPORTANT NOTE***
When you are finished with RStudio remember to stop the Singularity session via ctl-c, and you can kill the SSH forwarding session by finding the process ID (PID) with the following command, noting that the PID is the second column:
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A pre-existing Github account is now required to use the below instructions. Create one first if you do not have one. |
Visual Studio Code is an Integrated Development Environment that some like to use on their laptops. If you are familiar with that, the HPC has a server-side version hosted on the compute nodes (NOT the login nodes) for users to connect their local VS Code application on their laptop to Ginsburg and open files from their Ginsburg folder directly. To use it, do the following:
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