NOTE: As of July 2011, Perple_X
6.6.6+ is the
default version of the Perple_X. An
unfortunate consequence of the change in versions is that most of the examples
and tutorials referred to here are out of date. The out-of-date examples and
tutorials are, in most cases, useful because the basic information passed
between the various programs has not changed although many of the prompts have
been eliminated or reordered.
The Perple_X on-line documentation
illustrates certain specific types of calculations. These illustrations often
assume some basic knowledge of the Perple_X
programs; for beginning users it may be more helpful to work through
the off-line tutorial and/or examples.
is not current, so prompts and computational results obtained
now with Perple_X may differ from those in
the documentation, despite this problem, working through the offline
documentation may still be the best of learning how
to use Perple_X. Note that the chapter
dealing with fixed bulk compositions has been supplanted by
on-line phase diagram section
Flow charts of program structure
An on-line guide to example problems done with Perple_X.
The original technical documentation is a potpourri of different kinds of information on topics
such as the equations of state implemented in Perple_X
for compounds and solutions and the structure of various Perple_X
data files. The technical documentation is not up-to-date and it is probably not a useful document for Perple_X novices.
README Files (ASCII)
These files contain various types of technical information (file formats,
etc) for specific Perple_X programs.
Scripting and other OS specific utilities/instructions:
Links to various (user supplied) scripts and/or facilities that automate
aspects of Perple_X. Scripting
written for earlier
versions of Perple_X may not function as
written in current versions (6.6.6+) of Perple_X.
a C-script to run multiple batch jobs (courtesy of C.
PerpleXWrap C/R/Matlab/Python wrapper for MEEMUM:
Kaislaniemi's wrappers have been updated by Julien Cornet
for the 6.8.1
version of Perple_X. The wrappers allow C,
and R programs to call MEEMUM as a subroutine for phase equilibrium
calculations. The updated wrappers and documentation are available
here. The original version of the Lars's wrapper is at github.com/larskaislaniemi/PrplxWrap
and supports Perple_X 6.6.8. The
compatibility of the wrapper with Perple_X
is determined by the common block structure in Perple_X,
this does not change often. Thus Lars's version is compatible with
6.6.8-6.7.5 (and probably earlier version), Julien's update is likely to
remain compatible with future versions and is probably compatible with
6.8.0. I am not sure where between 6.7.5 and 6.8.0 the change occurs, but
this can be determined by looking at the dimensioning of common block cxt14
OSX Apps that automate some simple, but often confusing, tasks
with Perple_X under OSX (courtesy of
Some tips on how to run Perple_X
under OSX (courtesy of
- Matlab plotting sripts.
(fast, high resolution calculations with Perple_X
autoVertex - an OSX/Unix perl script that automates running VERTEX with
the "auto_refine" option. This script is now obsolete if VERTEX is
run with the "auto_refine" keyword set to "auto", however the script provides
a template for scripts to perform other tasks.
These are notes prepared (with emphasis on elementary), for short
courses some years ago. The first part deals with some basic thermodynamic principles,
especially G-X diagrams. The second part offers a brief (out of date) comparison
of computational methods, and elaborates on aspects of Perple_X algorithms.
Helffrich G, Connolly JAD (2009) Physical contradictions and remedies using simple polythermal equations of state.
American Mineralogist 94:1616-1619, doi:10.2138/am.2009.3262
Connolly, JAD (2009) The
geodynamic equation of state: what and how.
Geochemistry Geophysics Geosystems, 10:Q10014,
Connolly JAD (2005)
Computation of phase equilibria by linear
programming: a tool for geodynamic modeling and its application to subduction
zone decarbonation. EPSL 236:524–541 (Errata)
Connolly JAD, Kerrick DM (2002)
Metamorphic controls on seismic velocity of subducted oceanic crust at 100-250
Connolly JAD, Petrini K (2002)
An automated strategy for calculation
of phase diagram sections and retrieval of rock properties as a function
of physical conditions.
J Met Geol, 20:697-708. (Errata)
Connolly JAD (1995) Phase
diagram methods for graphitic rocks and application to the system C-O-H-FeO-TiO2-SiO2.
Contrib Mineral Petrol 119:94-116 (Errata)
Connolly JAD, Cesare B (1993) C-O-H-S
fluid composition and oxygen fugacity in graphitic metapelites. J
Metamorphic Geol 11:368-378 (Errata)
Abart R, Connolly JAD, Trommsdorff V (1992) Singular
point analysis: construction of Schreinemakers projections for systems
with a binary solution. Am J Sci 292:778-805
Connolly JAD, Trommsdorff V (1991) Petrogenetic grids for metacarbonate
rocks: pressure-temperature phase diagrams for mixed volatile systems. Contrib
Mineral Petrol 108: 93-105
Connolly JAD (1990) Multivariable
phase diagrams: an algorithm based on generalized thermodynamics. Am
J Sci 290:666-718 (Errata)
Connolly JAD, Kerrick DM (1987) An
algorithm and computer program for calculating composition phase diagrams.
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