Requirements
Installation and test run
Documentation
Further Tests
License
Further comments on Computers
Requirements:
- A Linux PC with an AMD or Intel processor(s), or an
SGI IRIX MIPS,
or a Compaq/DEC Unix Alpha workstation. No Microsoft or Apple versions are
planned. Further comments are below.
- 200 MByte of free disk space.
- You must be able to print or display PostScript
files (or convert PostScript, e.g., to PDF with Adobe Acrobat
Distiller).
- An X-windows display. (This is checked for
you in Step 2 of the test run below.)
- The installation is very simple, even for non-experts:
- You log on under your normal username (not
root);
- And you can at any time completely remove your installed package
(including all output from the tests) with the command:
$HOME/.un-install-lcmodel
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Free installation and test run:
- Download the package by clicking on one of the
following filenames:
-
lcm-linux.tar (about
8.8Mbyte,
for a Linux PC);
-
lcm-sgi.tar (about
5.7Mbyte,
for SGI IRIX MIPS systems);
-
lcm-dec.tar (about
11.6Mbyte,
for Compaq/DEC Alpha with Tru64 UNIX V5.x).
(lcm-sgi.tar contains
multiple versions; the version optimal for your hardware and operating
system version is automatically installed.)
(You can also download using anonymous FTP
from outside your browser.)
- Install and test the package (using
linux, sgi or dec
in place of ??? in the first command) with:
tar xf lcm-???.tar
./install-lcmodel
Note that the last command starts with a dot.
(If you get an error message about not
being able to open or connect to your display, then click here.)
Chapter 4 of the User's Manual has more
information on installation and displaying the results.
- Compare your test-run results (also in
$HOME/.lcmodel/test/output/test.ps) with PLOTs 1-4 in the
documentation:
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Documentation
The User's Manual (in $HOME/.lcmodel/doc/manual.ps) is a
full reference manual (163 pages), and most users only need to read
a small part of it (as outlined in the overview in Sec. 1.1). Chapter 4
explains the test runs in detail. Also print out
$HOME/.lcmodel/doc/figures.ps (27 pages), and bind it
separately from the manual. If possible, print both in duplex mode (both
sides of a page).
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Further Tests
You can run your own data. LCModel will stop, but only after plotting
the absolute value of your spectrum. So, you can test data conversion and
input to LCModel.
LCMgui guides you through these extra tests. To start a new LCMgui
session, you enter
cd $HOME/.lcmodel
./lcmgui
(Note that the last command starts with a dot. The manual specifies how
you can easily reduce these two commands to simply lcmgui.)
You can further test and configure all the facilities of LCMgui by
installing a false license, as specified in Section 4.2.5 of the LCModel
manual.
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License
A password that you obtain with your license fully enables your LCModel package to
analyze all data (not just the test data).
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Further comments on Computers
- An LCModel analysis makes nearly full use of one processor's speed,
but it makes no use of multiple processors.
- There is very little input/output or demands on graphics, memory or
disk storage.
- Linux PCs are very fast with LCModel. A 2.0 GHz
PC is faster than any Unix
workstation that I have ever used. A PC with 512 kB cache and
512 MB memory seems more than sufficient, at least for one user at a time.
- LCModel should run with almost any Linux distribution from the last few
years. Otherwise, the test run quickly stops, with a message like, "Kernel too
old." This happens with SuSE 5.2 (from 1998).
- You should check all of this on your own computer(s) with the free
download and test runs.
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Contact: sp@s-provencher.com
Last modified: 26 November 2008