MINPACK is a library of Fortran routines for the solution of non-linear, multivariate minimization problems.
Welcome to OSC! If you are new to supercomputing, new to OSC, or simply interested in getting an account (if you don't already have one), we have some resources to help you.
Each user ID has a home directory on one of the NFS shared file systems. You have the same home directory regardless of what system you’re on, including all login nodes and all compute nodes, so your files are accessible everywhere. Most of your work in the login environment will be done in your home directory.
OSC has several different file systems where you can create files and directories. The characteristics of those systems and the policies associated with them determine their suitability for any particular purpose. This section describes the characteristics and policies that you should take into consideration in selecting a file system to use.
The various file systems are described in subsequent sections.
The storage at OSC consists of servers, data storage subsystems, and networks providing a number of storage services to OSC HPC systems. The current configuration consists of:
LS-DYNA is a general purpose finite element code for simulating complex structural problems, specializing in nonlinear, transient dynamic problems using explicit integration. LS-DYNA is one of the codes developed at Livermore Software Technology Corporation (LSTC).
The Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a classical molecular dynamics code designed for high-performance simulation of large molecular systems. LAMMPS generally scales well on OSC platforms, offers a variety of modelling techniques, and offers GPU enhanced computation.
Jmol is a simple molecular visualization program. It can read many file formats and can write various formats. Animations of normal modes and simulations are implemented. Jmol is an OpenScience Java application.
The Intel compilers for both C/C++ and FORTRAN.
A job script, or PBS batch script, is a text file containing job setup information for the batch system followed by commands to be executed. It can be created using any text editor and may be given any name. Some people like to name their scripts something like myscript.job or myscript.pbs, but myscript works just as well.
A job script is simply a shell script. It consists of PBS directives, comments, and executable statements. The # character indicates a comment, although lines beginning with #PBS are interpreted as PBS directives. Blank lines can be included for readability.