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Revision as of 13:20, 5 November 2021
Software
Contents
We currently have many commercial and freeware (foss, free and open source software) packages installed on our supercomputers. Online documentation and links to the vendor's website are available to TAMU computers and to computers using TAMU's VPN. Requests to use restricted software should be emailed to the HPRC helpdesk. Please also consult our Software Policy page for more information about acquiring and using restricted (EAR and ITAR) and licensed software on our clusters.
Finding Software
On our clusters, the software is available through the module system. Available software can be queried with:
- module avail
or
- module spider
or
- fml
fml command is a fast alternative to module spider. However, for the most up-to-date module information, please use module spider
To search for available Python module,
fml Python
To query information about a particular module
fml Python/3.8.2-GCCcore-9.3.0
A complete module listing for each cluster can be found here:
On our Linux workstations, a list of available packages can be queried with:
- rpm -qa | sort
Temporary Files and Using the Home Directory
Many software packages create and manipulate temporary files during the execution of the program. These temporary files are commonly placed within your Home directory by default. You must remain aware of how much quota space is left within your Home directory at all times. If your Home directory is filled, attempts to write or modify temporary files will fail.
This may cause your jobs to terminate (be killed) or hang (do nothing, waste SUs).
The easiest way to avoid this issue is to store your files within your Scratch directory. Use cd $SCRATCH to navigate to your Scratch directory.
showquota will allow you to view your quota limits.
Available Packages and Software Collections
We maintain a number of pages documenting the use of some of the available software packages, including:
- ABAQUS
- AlphaFold
- Altair
- ANACONDA
- ANSYS
- Bioinformatics Software Collection
- Caffe
- cctools/parrot access CVMFS
- Dalton
- Faster-RCNN
- Galaxy
- Globus Connect
- GNU Compiler Collection
- GROMACS
- Intel Cluster Suite
- Compilers
- MPI
- Math Kernel Library
- VTune
- Julia
- Keras
- Knitro
- LAMMPS
- Livermore Software Technology
- Machine Learning
- Matlab
- moose
- myHadoop
- NAMD
- NCAR Command Language (NCL)
- netCDF
- NWChem
- OpenFOAM
- pigz (parallel gzip)
- Portal
- PostgreSQL
- Psi4
- Python
- PyTorch
- QuantumESPRESSO
- R
- R_tamu
- rclone (cloud backup)
- RCS (Revision Control System)
- SAS
- Scikit_Learn
- Singularity
- STAR-CCM+
- SWAN
- tamulauncher
- VMD
- TensorFlow
- Web Proxy (internet access from compute nodes)
- WRF
- Zebulon
License-Restricted Packages
These packages are restricted by license. Individuals or groups have purchased licenses for these packages and manage the list of users that may access them.
Note: These packages are not the same as Export-Controlled Software, as mentioned in the Software Policy.
Toolchains for Compiling Software
Information on the available toolchains for compiling software can be found on our Toolchains page.
Useful Tools
The following is a list of the most frequently requested / needed tools on our clusters.
