HPC Documentation

Supercomputer documentation is always a work in progress! Please email questions, corrections, or suggestions to the HPC support team at help-hpc@uky.edu as usual. Thanks!

For information on current problems and outages, see the News Blog page.

General Information

README FIRST
All HPC users should be familiar with the information here.

Getting Started
New users should start with these pages. Old users who haven't used the cluster in a while might take a look as well.

FAQ
If you have a question, check the Frequently Asked Questions list.

module
Use the module list command to see what software modules have been loaded in your current login session. Use the module avail command to see what modules are available for you to use.

Linux-man
Use the Linux man command to get detailed help on most commands, packages, and libraries.

ExamplesLook in the examples directory /share/cluster/examples/dlx on the cluster for sample job scripts and other information.

$ cd /share/cluster/examples/dlx
$ ls
amber fluent GPU MatStudio Molpro mpi OpenMP SatScan serial test

System Software

Red Hat Linux
the operating system used on the cluster.

MOAB and SLURM
the batch job scheduler that decides which job should run next and the resource manager that allocates resources to it.

MPI
The Message Passing Interface protocol allows jobs spread across many nodes communicate.

Compilers and Development Software

Intel Compilers
The Intel compilers will be the best choice for most applications.

Intel Library (IMKL)
Optimized versions of BLAS, LAPACK, BLACS and SCALAPACK are available through the Intel Math Kernel Library.

GNU Compilers
The GNU compilers are also available for those applications that need or require them.

Application Packages

Amber
The Amber Molecular Dynamics package is a package of molecular simulation programs which includes source code and demos.

ANSYS
[Under construction]

FieldView
[Under construction]

Fluent
[Under construction]

Gaussian
The Gaussian package is one of the most diverse quantum chemistry codes available, because of the wide range of properties it can compute.

Matlab
[Under construction]

MolPro
[Under construction]

NAMD
NAMD is a parallel molecular dynamics code designed for high-performance computing. For any system with a parameterized force field, NAMD can be used to compute the evolution of forces on atoms over time.

Octave
[Under construction]

VASP
[Under construction]

Samples

A few example of the results computed here. [Under construction]

QCD vacuum structThree graphs produced by the QCD group, provided by Dr. Shao-Jing Dong.

859-218-HELP (859-218-4357) 218help@uky.edu

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