Software
iCER provides a wide variety of software to support research. This includes hundreds of application titles, libraries, compilers, debuggers and profilers.
To see a list of modules/software available on the HPCC use the module spider command.
The HPCC has an extensive list of over 2,000 installed software packages available for use by MSU researchers. Below is a sample of applications available. See documentation for software specific tutorials.
| Domain of Application | Software |
|---|---|
| Structural Mechanics | abaqus |
| Computational Chemistry | gaussian, gamess, gromacs, namd |
| Computational Genomics | abyss, mrbayes, orca, velvet, mother |
| Fluid Dynamics | fluent, foam |
| General Computing | mathematica, matlab, python |
| Performance Compilers | Intel, PGI, GNU |
| Performance Libraries | MKL, ACML, GSL, PETSc |
| Statistics | R, stata |
| Software Development Tools | DDT, Intel Debugger, valgrind |
Secure Software
Most software titles on MSU's HPC system do not have special licensing agreements. However, some software titles are available for academic use only after researchers have read, understood, and agreed to end-user licensing. These include:
- Amber
- NAMD
- VMatch
- VMD
- Molpro
If you would like access to any of those software titles, please see our End-User Licensing Agreement.
Additionally, a special confidentiality agreement is required for the following software:
- Gaussian - To access this software, please complete the Gaussian Confidentiality Agreement.
Users can install system-supported software locally in their home or research directory. In addition, the HPCC is equipped to run software containers using Singularity. Software that was previously unsupported by the HPCC environment or made obsolete by a system upgrade can now be used through containers that emulate a different configuration. What's more, these containers provide researchers with a method to preserve software configurations and workflows for use when reproducing their results. Singularity is installed on all development and compute nodes. Several pre-built Singularity containers are currently available including general use containers for CentOS 7.3 and Ubuntu 17.04, a container with Tensorflow enabled python, and a container for running Rstudio. Users can access these containers by first loading the Singularity module on HPCC. For more information about creating containers with singularity and downloading singularity containers to HPCC, visit: https://wiki.hpcc.msu.edu/display/ITH/Singularity.