mathematica


Introduction:

MATHEMATICA is a program primarily designed for interactive
use in symbolic calculation. MATHEMATICA has hundreds of built-in
functions that the user can access by name. A user can also prepare
functions in text files, beforehand, to be used in a particular
computation.

While most users are familiar with interactive usage, MATHEMATICA
can also be used indirectly, with a user script. This fact becomes
important when a calculation is expected to take a long time,
or when it is to be run on a computing cluster under a batch
queueing system.

MATHEMATICA is licensed software. Currently, Virginia Tech
maintains a campus-wide site license for Mathematica, so that all
VT users have access. Nonetheless, license files on ARC clusters
expire periodically (every six months, right now), so from time to
time, users may experience a temporary lockout from usage until
the license file is updated.

Web site:


https://www.wolfram.com/mathematica/

Reference:

Usage:

On any ARC cluster, check the installation details
by typing "module spider mathematica".

MATHEMATICA can be loaded with the single module command:

      module load mathematica/11.0.0
    

If you wish to use the familiar interactive interface to MATHEMATICA,
then when you connected to the system, your ssh command should
have included the "-X" switch to enable X11 graphics, as in:

      ssh -X yourPID@newriver1.arc.vt.edu
    

To start the MATHEMATICA session, type:

      mathematica
    

For large or lengthy computations, it is preferable to prepare a
script file. One option is to write the MATHEMATICA commands in
a "Wolfram Language" script file, which begins with the line

#! /usr/bin/env wolframscript
    

followed by Mathematica commands. Such a file typically has the
extension ".wl". The file can then be processed by a statement like:

      wolfram -script commands.wl
    

Examples:

The following batch script shows how to execute a "wl" script.

#! /bin/bash
#
#PBS -l walltime=00:05:00
#PBS -l nodes=1:ppn=1
#PBS -W group_list=newriver
#PBS -q open_q
#PBS -j oe
#
cd $PBS_O_WORKDIR
module purge
module load mathematica/11.0.0

wolfram -script commands.wl
  

A complete set of files to carry out a similar process are available in
mathematica.tar