COMAGMAT-3.0 (1992)

                          User's Manual

           Alexei A. Ariskin and Sergei S. Meshalkin
              Vernadsky Institute, Moscow, Russia


                             CONTENTS                                     

1. Introduction .......................................  1.1           
                                                                       
   Petrological Significance...........................  1.1           
   General Description ................................  1.2           
   Hardware Requirments ...............................  1.3           
   Availability .......................................  1.4           
                                                                       
2. Setting Up COMAGMAT ................................  2.1           
                                                                       
   Installation .......................................  2.1           
   Configurating System ...............................  2.2           
   Starting COMAGMAT ..................................  2.3           
                                                                       
3. Program Manager "ComagMan.Exe" .....................  3.1           
                                                                       
   Using Menu Manager "Comenu.Exe".....................  3.1           
   Main Simulation Routines ...........................  3.2           
   Main Condition Variables ...........................  3.3           
   Using Editor Manager "Comed.Exe"....................  3.4           
   Run Petrological Program "Comagmat.Exe".............  3.5           
   Fast View of Modeling Results ......................  3.6           
                                                                       
4. Graphics Manager "Graph.Exe" .......................  4.1
           
   Plotting Program "Paint.Exe" .......................  4.1           
                                                                       
5. Data Files Description .............................  5.1           
                                                                       
   MainMenu.Dat .......................................  5.1           
   OxyBuf.Dat .........................................  5.2           
   ComMaj.Dat .........................................  5.3           
   ComTra.Dat .........................................  5.4           
   DiCoef.Dat .........................................  5.5           
   Miners.Dat .........................................  5.6           
   Correc.Dat .........................................  5.7           
   Intrus.Dat .........................................  5.8           
                                                                       
6. Output Files .......................................                
                                                                       
7. Troubleshooting ....................................     
           
8. References .........................................                
                                                                       
9. Appendix ...........................................  9.1           
                                                                       
   Examples of COMAGMAT Output Files ..................  9.1           
   Examples of COMAGMAT Plots .........................  9.2           
                                                                       
1. Introduction                                                        

   Welcome to COMAGMAT-3.0 software! This is a powerful tool designed 
for petrologists to study igneous differentiation processes using the
modern methods of numerical simulating crystallization in natural 
magmatic systems. The COMAGMAT programs have been constrained in the
Vernadsky Institute (Moscow, Russia) by over 20 years of field works,
petrography, geochemistry and computer simulating the formation 
process of differentiated sills and volcanic series occured in Eastern 
Siberia, Karelia, Kamchatka, Mid-Ocean Ridge systems. The software is
designed to be simple and intelligible at every stage of petrological
calculations with the input and output files organized to be user
friendly. The COMAGMAT programs operate in a sohpisticated environment
with the in-built help, quick viewer and graphics support making it 
useful for beginners and dabblers. 

1.1  Petrological Significance  

   The COMAGMAT-3.0 is a series of linked programs developed to simulate 
a variety of igneous processes ranging from simple crystallization of 
volcanic suites to the differentiation of tabular intrusions at pressures 
up to 12 kb (Ariskin et al., 1988-1990). The theoretical basis of these
programs is an algorithm for modeling crystallization of naturally 
occuring mafic magmas (Frenkel and Ariskin, 1984). The building blocks 
of COMAGMAT are a set of empirically calibrated expressions that are 
used to calculate equilibrium temperatures and phase relations. These
expressions describe mineral-melt equilibria for major and trace elements
in terms of pressure, temperature, oxygen fugacity and liquid composition
(Ariskin et al., 1992a,b).  Based on the geothermometers an algorithm 
for the simulation of the differentiation of multiply saturated magmas
from primitive basalts to dacites has been developed for Olivine, 
Plagioclase, Augite, Pigeonite (or Opx), Ilmenite, and Magnetite bearing 
assemblages. The results of the program are in the form of calculated
liquid lines of descent, plus the equilibrium mineral proportions and
compositions. The phase equilibria calculations form the core of a model
that allows the user to simulate processes ranging from simple isobaric
crystallization to polybaric fractionation. 
   In order to create a more realistic simulation of natural system 
magma evolution, expressions describing the dynamics of in situ magma 
differentiation by the Convective-Cumulative Process of Frenkel et al.  
(1989), were combined with the mineral-melt equilibria constraints on 
magma evolution described above.  This linkage makes it possible to 
model a number of igneous fractionation processes that may be active 
during ascent and solidification of basalt magmas.  

1.2  General Description 

   The general structure of the COMAGMAT software is shown on Fig. 1.
The program starts with the "comaedit.bat" file, which is designed to
run the main Program Manager "comagman.exe" and the Graphics Manager
"graph.exe".  The different programs in the system are written in either
C or FORTRAN.  The two managers noted above, and the special editor
"comaedit.exe" were coded in C, while the main petrologic modeling program
"comagmat.exe" and the graphics support module "paint.exe" were written in
Fortran-77 using the MS Fortran 5.0 compiler. The system variables for the
COMAGMAT routines are defined in "comenu.exe", with the variables entered
in an interactive mode directly from the screen (Fig. 2). The simulations
can be made assuming that the system is either open (fO2 set externally
using any of 12 fO2 buffers) or closed (fO2 controlled internally by 
mineral-melt equilibria) to oxygen.  The model can also calculate the
effects of small amounts of water in the system.  








   Fig. 1. Generalized structure of the COMAGMAT-3.0 software


   The "comenu.exe" program creates the"mainmenu.dat" text file that 
will be read from the main petrological modeling routine. After the main
parameters are defined, the Program Manager runs "comed.exe" which allows 
the user to edit or view additional data files. The "comaedit.exe" editor
has been designed to make changes in the files to alter the nature of the
simulation and to save or renew the initial or default parameters. A list
of the COMAGMAT data files are shown on Fig. 1 with an indication of their
significance of each (for more information see Section 5). Once the model
parameters are input, the user exits from "comed.exe" and executes the
main modeling program "comagmat.exe". This program requires input of the
name of an output file(s), then proceeds to read the data files and 
perform calculations with simultaneous output to the screen.  The 
modeling process may be conducted with a crystallization increment of
1-2 mol.% up to the bulk system crystallinity of 80-90%. After the
calculations are finished, the information will be written to the output
file as a sequence of 4 tables (the more general case, some exclusions
see Section 6). They contain information on phase proportions and
compositions as a function of total crystallinity, in addition to the
equilibrium temperatures calculated for each stage of the simulation.
For the simulation of dynamic processes, an additional file will be
created as a sequence of 4 tables containing the changes in dynamic
parameters, temperature and chemical compositions of the modelled
system in terms of height within the intrusion.
   Presentation in table form makes it easier both to analyze and plot 
the model results.  After "comagmat" is finished, the Program Manager
calls Quick Viewer.  This is used to browse the model results using the
"PageUp" and "PageDown" keys.  This is is not always necessary however,   
because upon exit from the routine completes execution of the Program 
Manager and initiates the Graphics Manager program "graph.exe" (Fig. 1).
The manager is organized in a similar fashion to the "comed.exe" program,
so one can select to see any plot by moving a highlighted field to the
name of the figure and pressing "Enter" (on-line help is also present).
The plots can then be output to a printer (see Appendix).

1.3  Hardware Requirments                                                 

   The COMAGMAT-3.0 programs operate under DOS 3.0 or higher on any IBM PC
compatible computer with at least 640 RAM, and a hard disk.  A math co-
processor is suggested but not required.  A simple installation program is
provided.  Before installation, make sure that there is at least 600 Kb 
free on the hard disk. An additional 400-500 Kb for output is recommended.
The hardware configuration being used may be input into the COMAGMAT 
routines by editing a simple text file "config.cmg" containing the names 
of directory, data files as well as the editor and viewer used.  Any 
standard editor can be used to change the system parameters or browse 
output files. The software uses VGA, EGA, or CGA display.

1.4  Availability
                                                                          
   The COMAGMAT software, including the complete documentation, is 
available for distribution to individuals or institutions for a fee of 
$90 (or $50 for students). To receive the source code, executable files, 
and the manual, please send a high-density 5.25-in or 3.5-in floppy disks
to Dr. A.A.Ariskin:

Vernadsky Institute, Kosygin Street 19, Moscow 117975, Russia             
Telefax: 938-20-54, Telex: 411633 TERRA SU                                

or to Dr. R.L.Nielsen:
                      
College of Oceanography, Oceanography Admin Bldg 104,                     
Oregon State University, Corvallis, Oregon 97331-5503,                    
U.S.A., (503)737-3023.                                                    

   In addition, please indicate the type of monitor and printer to be 
used.  Futher information on development the COMAGMAT system can be 
obtained from us or from Roger L. Nielsen.
         

2. Setting Up COMAGMAT                                                    
                                                                          
2.1  Installation                                                         

    To install the COMAGMAT software on your hard disk insert the 
distributive disk in drive A: or B:, make it active and type INSTALL D 
where D is disk drive letter (C, D, E...);  note the space between 
INSTALL and the hard disk name. The following subdirectories should 
not be on your hard disk before installation:

D:\COMAGMAT\         - Main system directory
D:\COMAGMAT\OUTPUT\  - For output files

   There must be at least 600 KByte free space on your hard disk.
400-500 kbyte free space in necessary to create output files that
in rare cases may even more the value. You can terminate the installation
procedure by pressing the "Ctrl-Break" keys.

2.2  Configurating System 

   After installation within the main system directory  D:\COMAGMATthe configation file "config.cmg" will be created. This file involves
the current name of directory, names of data files as well as editor
used to specify the program variables. "Default" means that the Main
Program Manager will call only in-built Viewer for fast browse of the
modeling results.         
   If it is necessary for an user to copy the COMAGMAT system within
his computer to a logical/electronic disk or to change the current
directory name he should keep in mind on the necessity to correct the
first string of the COMAGMAT configuration file. You should not alter
the names of data files, although in a general case using the main
petrological program "comagmat.exe" admits the possibilty. Both text
editor and viewer may be changed if an user is accustomed to utilize 
any other ones. For example, the command "VIEWER=edit" can be used
to call standard DOS editor "edit.com" that has more options as compared
to our COMAGMAT default viewer.

Structer of "config.cmg" file:    
------------------------------    

D:\COMAGMAT\                        
====================              
MainMenu.dat NVAR=10              
OxyBuf.dat   NTXT=11              
ComMaj.dat   NMAJ=12               
ComTra.dat   NTRA=13              
DiCoef.dat   NDIS=14                 
Miners.dat   NMNL=15              
Correc.dat   NTLC=16              
Intrus.dat   NDYN=17
====================
EDITOR=comaedit
VIEWER=default      
                                                                          
2.3  Starting COMAGMAT 

   To start the COMAGMAT software one should run the batch file 
"comagm.bat" located in the main D:\COMAGMAT\ directory. If you are
going to start from the root directory with DOS environment, type on
the screen the command "D:\COMAGMAT\comagm" (remind that D is drive
letter C,D,E, etc.) and press "Enter". One can start the software also 
from the main D:\COMAGMAT\ directory typing only the command "comagm"
and press "Enter". However, it is much more convinient to use for the
purpose a mouse in a File Manager from Microsoft Windows 3.0 (3.1,3.2) 
or any other sophisticated operating system. In that case you will be
able to select quickly the output files resulted from calculations,
view or print out them.

3. Program Manager "ComagMan.Exe"         

   After starting the COMAGMAT software it runs the Main Program
Manager "comagman.exe" (Fig. 1). You will see on the screen "Welcome"
with indication of 3 possible ways of the futher actions. One can
cancel the calculations by pressing "Q" followed with "ESC". But, in 
a more usual case the user should make up his mind: is he going to
initialize the main modeling routines (see below) by means of a special
"comenu.exe" program (i.e. to create a new "mainmenu.dat" file) or
cancel the operations just going to the View/Edit of data files?

             *********************************************    
             *        --> [Enter] to Call  Main  Menu    *    
             * Press =                                   *    
             *        --> [ Esc ] to Edit Main Variables *                
             *********************************************
                                                                    
As a rule, you should press "Enter" if you are only beginning the 
simulation process or are intented to carry out a principally new series 
of the model calculations. If you have already selected the main program 
routines during a previous work (pressure, redox conditions, crystal
increment, water content, etc.) it is more convinient to cancel running
the "comenu.exe" program and make changes in the program variables
using the Editor Manager "comed.exe" (see Section 3.4).
                                                                     
3.1  Using Menu Manager "Comenu.Exe"                   
                                                                          
   If you called the Main Menu initialization the COMAGMAT Menu Manager
"comenu.exe" begin to operate within the "comagman.exe" program. The 
initial screen image to setup the main routines and variables in the
interactive mode directly from the screen is shown on Fig. 2. The window
is divided to a set of fields and boxex corresponded to different modes
of calculations.  There is a highlighted  field in the upper left part
of the screen where an user can see instructions to operate the system.
For more detail information use the in-built Help instructions pressing
the  functional key.


********************     Welcome to COMAGMAT manager !    **********************
*                        -----------------------------                         *
*  COMAGMAT SOFTWARE, VER.3.0 (1992)         Simulating effect of pressure:    *
*                                           ================================   *
*  SELECT ROUTINE FOR SIMULATION:          ->Isobaric crystallization          *
*  ======================================    Increasing  pressure  routine     *
*  Thermometry of Mineral-Melt Equilibria    Decompression crystallization     *
*  Simulating Equilibrium Crystallization                                      *
*  Simulating  Fractional Crystallization                                      *
*  Simulating Layered Intrusion Formation    Simulating redox conditions:      *
*  ======================================   ================================   *
*                                          ->Closed system (Fe2+/FeO ratios)   *
*   Solving equilibrium problem at given     Open system___(oxygen  buffers)   *
*   Crystal increment  ...%  up to  ...%                                       *
*                                                                              *
*   Simulation of trace elements:            Precision of calculations:        *
*  ======================================   ================================   *
*  -> 1. Mn,Ni,Co,Cr,Sc,V ,Sr,Ba,Rb,Cu     ->Temperature convergence,C  1.0    *
*     2. La,Ce,Nd,Sm,Eu,Gd,Dy,Er,Yb,Lu       Phase compositions, mol.%  0.1    *
*                                                                              *
*  --------------------------------------             ----------------         *
*  H2O content in model system, wt.%: ...             Date :  12/24/92         *
********************************************************************************
      Esc=Back 1 level      F1:Help       F2:Next_Box       F3:Save+Quit  


   Fig. 2. Screen image of the Program Manager used to define main
           routines, simulation parameters and system variables.



   To transfer from an active field or box to an other use the  key 
(note, the combination [Shift+F2] enables to come back to the previous
active field or box). To cancel the current state and come back to a 
prevoius position within a box one can utilize "ESC". To exit the 
"comenu.exe" program with saving the current screen image to the data
file "mainmenu.dat" one should press the  functional key. Mark that
to run the petrological program "comagmat.exe" all fields in the data
file should be filled correctly. For defense of uncorrect exit the Menu 
Manager a special request [Yes/No] is involved in the program.

3.2  Main Simulation Routines                                 

   There are 4 main modes in COMAGMAT that may be used in solving more
general petrological problems. They are given in the first active box
and can be selected by moving a highlighted field within the framework.

*  Thermometry of Mineral-Melt Equilibria  allows to calculate mineral-
melt equilibria temperatures for the melt (inclusion) compositions that
are supposed to be saturated with a mineral. That solid phase may be
selected directly from the screen followed by definition of the pressure
and redox conditions (see below):

               ****************************************                   
               *  Oliv  Plag  Aug   Lpx   Ilm ->Magn  *                   
               ****************************************                   

   The routine permits to calculate the saturation temperatures for as
much as 10,000 liquid phase compositions in a sigle set of the model
calculations. The problem is only to storage enough space on your disk
for the output file(s). At any rate, you should indicate within the 
screen the number of starting compositions that will be used in the
simulating temperatures:

               ****************************************
               * N=__1 - number of start compositions *
               ****************************************

   The next 3 routine have common peculiarities in specifying the model
calculations:

*  Simulating Equilibrium Crystallization
*  Simulating  Fractional Crystallization
*  Simulating Layered Intrusion Formation

   After selection of one of them the Menu Manager will ask if you want
to calculate the trace element liquid line of descent for the MELTS or 
MINERALS (with following print to output file)? You should select the
option desired by moving highlighted field and press "Enter". In the case
of MINERALS option selected it is necessary to define the mineral of
interest similar to Mineral-Melt Thermometry (see above).

   Other request is regarding a possibility to change a species of 
low-Ca pyroxene to be simulated (this version of COMAGMAT enables to 
calculate simultaneously only one high-Ca and one low-Ca pyroxene).
To do that move highlighted field to Opx or Pig and press "Enter".
Note, that for tholeiitic and related systems you should select Pig
while for the calc-alkaline melts Opx is more reliable phase.

   After definition of a possible mineral assemblage in the model system
the user should give the number of compositions used to be calculated.
One can do that similar to Thermometry routine, but a single set of
calculations for 2,3, and 4 routines may include no more than 9 initial 
compositions. 

   Crystal increment in the simulating process is default to be 1 mol.%
of the initial melt and maximum crystallinity is postulated to be equal
to 80 mol.%. These values can be also changed on the screen within the
next box (note, the problems of the computative scheme convergence may 
be arised if to try to calculate the equilibrium crystallization up to
90-94%):

               ****************************************
               * Solving equilibrium problem at given *
               * Crystal increment __1 %  up to _80 % *
               ****************************************

   The last option in the left part of the window involves selection of
the trace elements to model. The presented version of COMAGMAT software
enables to simulate 2 groups of trace elements given below. To select
them move highlighted arrow to a group and press "Enter". The first
group partitioning will be calculated default.

               ****************************************
               * _______ Simulating trace elements:   *
               *   1. Mn,Ni,Co,Cr,Sc,V ,Sr,Ba,Rb,Cu   *
               * ->2. La,Ce,Nd,Sm,Eu,Gd,Dy,Er,Yb,Lu   *
               ****************************************


3.3  Main Condition Variables 

   The right part of the screen in the mode of Menu Manager involves both
pressure and redox routines that should be specified with definition of 
the values of main variables peculiar to those conditions. First of all,
it is necessary to select what kind of the effect of pressure on phase
equilibria you wish simulate in the calculations. Move highlighted field
to a pressure routine and press "Enter":

               **********************************
               * Simulating effect of pressure  *
               * ============================== *
               * Isobaric crystallization       *
               * Increasing  pressure  routine  *
               * Decompression crystallization  *
               ********************************** 

Note, that the Isobaric Crystallization may be simulated for a set of 
initial melt compositions, while the Increasing Pressure Routine and
Decompression Crystallization may be calculated only for a single melt.
It is obvious that the first routine is not need in a special comment
(you should only define the total pressure from the screen), but next
two modes deserves a notice. The Increasing Pressure Routine makes it
possible to compare sequences of crystallization and liquid lines of
descent peculiar to isobaric conditions at different pressures. One
shoul define from the screen initial pressure (P), pressure increment 
(КP) and maximum value of PmaxРP+КP (in kbars) to simulate the pressure 
routine. The most reliable results the high pressure model gives in 
the range as much as 10-12 kbar, while more elevated pressures also can 
be modelled. The main problem here is unsufficient correct parameters to 
simulate low-Ca pyroxenes precipitation and absence in the COMAGMAT model
of the high-temperature Spinel crystallization. New geothermometers for 
the mineral-melt equilibria are now in development. 
   The Decompression Crystallization is modelled in COMAGMAT system by
by means of monotonic decreasing the total pressure from an initially
given P to a final value PminСP-КP with a constant pressure increment
КP per each 1% of the system crystallized. It results in specific liquid
line of descent that are principally different from the isobaric ones
but may be more corresponded to the natural petrochemical trens observed
in basaltic series (Ariskin, Barmina, 1992).

   After defining the pressure parameters the user must specify the
model redox conditions. The COMAGMAT program allows us to simulate
crystallizing systems that are either closed or open with respect
to oxygen:

               **********************************
               * Simulating redox conditions    *
               * ============================== *
               * Closed system (Fe2+/FeO ratios)*
               * Open system___(oxygen  buffers)*
               *                                *
               **********************************
                               
   The first case is peculiar for the systems where fO2 is controlled
internally by mineral-melt equilibria and reactions in the liquid phase,
first of all the Fe2+/Fe3+ relatios. The latter is supposed to be the
main factor controlling the oxygen fugacity in a closed system. So, one
should specify the initial Fe2+/FeO(tot) ratio in the melt to simulate
the closed respect to O2 crystallization. 
   To model the open to O2 system crystallization, the user must select
an oxygen buffer using the  functional key. A special table including
12 different oxygen buffers will appear on the screen, so that one can  
select the redox conditions by movement of highlighted field to a buffer
with press "Enter": 

               ***************** [Esc = Exit] **
               *  IW    : Myers,Eugster,1983   *
               *  WM    : Myers,Eugster,1983   *
               *  IM    : Huebner J.S.,1971    *
               *  MH    : Myers,Eugster,1983   *
               * QFM    : Myers,Eugster,1983   *
               * IQF    : Myers,Eugster,1983   *
               * NNO    : Huebner J.S.,1971    *
               * CCO    : Myers,Gunter,1979    *
               * COC>5kb: Woermann et al.,1977 *
               * COC<5kb: French B.H., 1966    *
               * GRA    : Ulmer, Luth, 1991    *
               * ARB    : Arbitrary  buffer    *
               * ============================= *
               * Select buffer by  and  keys *
               *********************************
                                                                    
Note, that one can change the T-P parameters of the oxygen buffers   
by editing the "oxybuf.dat" file (see Section 5.2). Pay your attention
also to ARB abbreviation: it means that any arbitrary oxygen buffer
parameters (including constant fO2 values) may be taken into account
in the simulating process.

   The Menu Manager allows to make chahges not only in petrological
parameters but also in precision of calculations. The default values of
calculating temperature and phase compositions can be changed in the
active box:

               **********************************
               * ___ Precision of calculations: *
               * Temperature convergence,C  1.0 *
               * Phase compositions, mol.%  0.1 *
               **********************************
                                                 
Of course, it is no real absolute accuracy of simulation, but only
precision of the convergence for the main computative iteration loops.
Nevertheless, in same cases if you faced a truble in modeling any
compositions for a given conditions a slight modifications in the
precision parameters may help to calculate more evolved liquid line of
descent. However, we don't recommend to use the operation often.

   The last variable parameter in "comenu.exe" program is H2O content
in the initial melt. Really it only a first very primitive attempt to
account for water presence as a factor decreasing mineral-melt
equilibria temperature in a different degree for different minerals
(see description of the "correc.dat" file): 

               ******************************************
               * H2O content in model system, wt.%  0.0 *            
               ******************************************            

Note, that the COMAGMAT program includes a special subroutine to simulate
water solubility as a function of temperature, pressure and SiO2 content
(see "Subroutine Solub" in Program Listing of Ariskin et al., 1992b). The
simulating process will be ceased if a current H2O content in the liquid
is more than the model calculated solubility.
  
                                                                    
3.4  Using Editor Manager "Comed.Exe"  

   After exit from the Menu Manager with saving all program routines and 
variables by  key and press "Yes" the last screen image will be 
written to D:\COMAGMAT\ directory as a text ASCII "mainmenu.dat" file 
(see Section 5.1). This is one of the 8 data files (Fig. 1) that may be
modified using an editor "comaedit.exe" designed especially for COMAGMAT 
software. To manage the process of editing (or viewing) the COMAGMAT
data files a special Editor Manager "comed.exe" has been developed:

 *******************  Editing of Main Menu and Variables  *********************
 *                                                                            *
 *               List of Data Files Used in COMAGMAT Software                 *
 *         ===========================================================        *
 *         Select Data File using highlighted arrow and press "Enter"         *
 *         ===========================================================        *
 *         ###########################################################        *
 *         #                                                         #        *
 *         #  -> 1 [MainMenu.dat]..Main routines and variables       #        *
 *         #     2 [OxyBuf  .dat]..Oxygen buffer parameters          #        *
 *         #     3 [ComMaj  .dat]..Major element contents            #        *
 *         #     4 [ComTra  .dat]..Trace element contents            #        *
 *         #     5 [DiCoef  .dat]..Distribution coefficients         #        *
 *         #     6 [Miners  .dat]..Mineral-Melt geothermometers      #        *
 *         #     7 [Correc  .dat]..Correction of model temperatures  #        *
 *         #     8 [Intrus  .dat]..Parameters of in situ process     #        *
 *         #     9  Exit Editing Data Files                          #        *
 *         #                                                         #        *
 *         ###########################################################        *
 *                                                                            *
 *                      F1 = Help             Esc = Exit                      *
 *                                                                            *
 ******************************************************************************


   Fig. 3. Screen image of the Editor Manager used to select data files
           desired to view or edit.
 

This manager begins to work just after completing execution of Menu Manager
and allows to select any data file directly from the screen using the
cursor keys. If you move a highlighted arrow to a file desired and press
"Enter" the "comaedit.exe" program will capture the file and a new image
will appear on the screen. It involves a set of strings of the data file
and 4 options:

   F1  - Help (significance of functional keys)
   F9  - Save all changes and Exit
   F10 - Undo all changes
   Esc - Exit without saving changes

The changes within the data file may be done by moving a blinking cursor
and typing a digit or a letter. For the exception of "mainmenu.dat" file
all other files are read in fixed formats, therefore all digits should
be placed strongly on the same positions. Note, that the editor works
only with files containing as much as 24 rows with no more than 80 positions
in each and can be used autonomically. Cancel the editing process or
exit from the Editor Manager after a work with the data files runs the
main petrological program.


3.5  Run Petrological Program "Comagmat.Exe"        

   Just after starting the main computative procedure "comagmat.exe" you
should type on the screen the name of output file (without extension) 
that will be created in the  D:\COMAGMAT\OUTPUT directory. The program
reads Data Files (Section 5) and runs the simulation subroutine that is
corresponded to one of the main routines selected (Section 3.2). During 
the modeling process the equilibrium state information is accumulating 
in the machine memory, so that writing to opened file(s) proceeds after 
completing the simulation for a given initial composition. The system
only 5 times will write the output data if you used 5 different initial
compositions. If you have already had an output file with the same name
as was typed on the screen the program will ask would you like to 
overwrite that file or give a new name.
   One can track each step of the calculations (corresponding to a given
crystal increment) on the screen while the calculations are accumulating
in the computer memory. It is taken from 3-5 sec (386 processor) up to
20-25 sec (286 processor) to simulate crystallization for a one initial
composition to a bulk crystallinity of 70-80%. The fractionation process 
is simulating markedly fast than the equilibrium crystallization. In some 
cases (especially if you gave an extremely high extent of equilibrium
crystallization or try to model advanced precipitation of magnetite) the
simulating process may be ceased earlier than you were indicated in the
"mainmenu.dat" file. Usually, it is due to a nonstability of the scheme
used in the algorithm. Corresponding diagnostics will be appeared on the
screen. In that case, try to change slightly input parameters (e.g., to
decrease the crystallization increment or alter initial composition as
for a component in the scale of 0.05-0.10 wt.%). If it does not help to 
advance the simulation you should stop the calculations.


3.6  Fast View of Modeling Results                                       
                                                                
   After performing all calculations and creation of output files the
Main Program Manager calls an in-built Quick Viewer to browse fast
the data obtained. This viewer allows to list the output file using
the "PageUp" and "PageDown" keys. It does not enable to shift image to
left or right so that only first 80 positions of each string would be
shown on the screen.  Exit from the viewer by "ESC" simultaneously 
completes of work of the "comagman.exe" program (Fig. 1).
          

4. Graphics Manager "Graph.Exe"            

   A system of graphics support of the COMAGMAT calculations has been
developed independently on the "comagman.exe" and "comagmat.exe"
programs (Fig. 1.). It involves the Graphics Manager "graph. exe" that 
permits to select any of the 8 possible COMAGMAT figures (Fig. 4) and to 
run the "paint.exe" program to plot:

 ******************************************************************************
 *                                                                            *
 *             MAIN MENU TO GRAPHICS SUPPORT OF COMAGMAT SOFTWARE             *
 *          ========================================================          *
 *          *  Graphics Presentation of Ouput Files  * Records = 1 *          *
 *          *    -->> COMAGMAT  Computations: <<--   * Output file:*          *
 *          * Simulating Equilibrium Crystallization *  [testing ] *          *
 *                                                                            *
 *         ###########################################################        *
 *         #                                                         #        *
 *         #  -> 1.  Phase  Relations  in  terms  of  Temperature    #        *
 *         #     2.  Liquid Lines of Descent for  Major  Elements    #        *
 *         #     3.  Mineral Compositions in terms of Temperature    #        *
 *         #     4.  Liquid Lines of Descent for  Trace  Elements    #        *
 *         #     5.  Dynamics  of Layered  Intrusion  Formation      #        *
 *         #     6.  Model Rock Norms  and  Settling Velosities      #        *
 *         #     7.  Model Rock Compositions for Major Elements      #        *
 *         #     8.  Model Rock Compositions for Trace Elements      #        *
 *         #     9.  EXIT graphic procedures                         #        *
 *         #                                                         #        *
 *         ###########################################################        *
 *                      F1 = Help             Esc = Exit                      *
 ******************************************************************************


   Fig. 4. The screen image of the Graphics Manager used to select plots


4.1  Plotting Program "Paint.Exe"                 

   The plotting "paint.exe" program has been written in Fortran-77 to 
create a fixed set of color figures on the screen or print them out.
It reads the output files indicated in brackets of the Graphics Manager
menu (Fig. 4) and executes the subroutine corresponding to the plots
selected by highlighted arrow. After the plots were created the program
asks "Do you want to print the plot? [Y/N]": if "Yes" and "Enter" the 
figures will be output to a printer. To cancel the print just press
"Enter". Note, that installation of the type of monitor and printer
takes place during linkage of the "paint.exe" program, therefore a user
should correctly indicate the types of devices in his request.


5. Data Files Description 

   The COMAGMAT data files are ASCII alphanumeric rows with a fixed length.
Thus, one can conduct a search, view or update the files using either the
Comagmat Editor Manager, or any text editor. Significance of each file is
followed (note once more, that you should not change the format of reading
the data files in an editing process!)
             
5.1  MainMenu.Dat

   As was considered earlier, the "mainmenu.dat" is created from the
COMAGMAT Menu Manager and defines the main routines, program parameters
and conditions of calculations. It has the same fashion for different
routines that will be given within the first string:


******************* Simulating Equilibrium Crystallization  ********************
*                                                                              *
*    COMAGMAT software, ver.3.0 (1992)       Isobaric crystallization          *
*     designed by A.A.Ariskin, Moscow       ================================   *
*  **************************************    Total pressure (P,kbar)   3       *
*                                            Maxim pressure(Pm,kbar)   10.0    *
*    Oliv  Plag  Aug   Pig   Ilm   Magn                                        *
*    ____  ____  ___   ___   ___   ____                                        *
*                                                                              *
*   N= 01 - number of start compositions     Open system (O2 buffers>Const)    *
*                                           ================================   *
*                                            Main  oxygen buffer   :  QFM      *
*   Solving equilibrium problem at given     Given lgfO2 - shifting:  0.00     *
*   Crystal increment   1 %  up to  80 %                                       *
*                                                                              *
*   Simulation of trace elements:            Precision of calculations:        *
*  ======================================   ================================   *
*     1. Mn,Ni,Co,Cr,Sc,V ,Sr,Ba,Rb,Cu       Temperature convergence,C  1.0    *
*  -> 2. La,Ce,Nd,Sm,Eu,Gd,Dy,Er,Yb,Lu       Phase compositions, mol.%  0.1    *
*                                                                              *
*  --------------------------------------             ----------------         *
*  H2O content in model system, wt.%  0.0             Date :  12/24/92         *
********************************************************************************


   Fig. 5. Example of "MainMenu.Dat" file to model equilibrium crystallization
           (The COMAGMAT program reads from the file not only real values of   
           given parameters but also some text variables to specify the model
           calculations).                                             
                                                                     
   
5.2  OxyBuf.Dat 


 **********************  PARAMETERS OF OXYGEN BUFFERS  ************************
 *  ========================================================================  *
 *             lgfO2 = a0 + a1/TK + a2*(P,bar-1)/TK                           *
 *    Buffer  --------------------------------------       References         *
 *                 a0           a1           a2                               *
 *  ========================================================================  *
 *   1  IW        6.471      -26834.7       0.055     Myers,Eugster,1983      *
 *   2  WM       16.092      -36951.3       0.083     Myers,Eugster,1983      *
 *   3  IM        8.990      -29260.0       0.061     Huebner J.S.,1971       *
 *   4  MH       13.480      -23847.6       0.019     Myers,Eugster,1983      *
 *   5  QFM       8.290      -24441.9       0.092     Myers,Eugster,1983      *
 *   6  IQF       6.396      -27517.5       0.050     Myers,Eugster,1983      *
 *   7  NNO       9.360      -24930.0       0.046     Huebner J.S.,1971       *
 *   8  CCO       7.936      -25070.0       0.055 *   Myers,Gunter,1979       *
 *   9  COC>5     2.740      -19559.0       0.130     Woermann et al.,1977    *
 *   10 COC<5    -0.044      -20586.0      -0.028     French B.H., 1966       *
 *   11 GRA       4.620      -22324.0       0.189 #   Ulmer, Luth, 1991       *
 *   12 ARB     -12.000           0.0       0.0       Arbitrary  Buffer       *
 *  ========================================================================  *
 *   * Postulated    # ...-1.41*[(P,kbar)**2]/TK                              *
 ******************************************************************************


   Fig. 6. Example of "OxyBuf.Dat" file to state standard buffer parameters
           or give any arbitrary oxygen fygacity (see ARB buffer)              
   
                                                         
5.3  ComMaj.Dat 

   It is the most often used file that involves contents of major components
in the melts to be simulated (wt.%). These may represent whole rock analyses,
compositions of melt inclusions or primary magmas as well as synthetic or
natural glass compositions. The contents occupy only the first 72 positions
within each row while positions from 73 to 80 are for a sample index (it will
be written in output file). These compositions may be both primary analyses
and calculated: the "comagmat.exe" program always recalculates the initial
contents for the first 10 components to 100 wt.%.  The program reads the
"commaj.dat" file row by row, thus if you want to replace, e.g. N_3 besides
from N_1, you should in advance prepare that file in any text editor or type
the contents in the first string during work of COMAGMAT Editor Manager. The
number of initial compositions should not be more than 10,000 for Thermometry 
routine and no more than 9 for Simulating Crystallization. One can use zero
concentrations in the file for any component.

 
 ==============================================================================
  SiO2  TiO2 Al2O3   FeO   MnO   MgO   CaO  Na2O   K2O  P2O5 Cr2O3   LOI Sample
 ==============================================================================
 51.50  0.80 13.30 10.30  0.17 12.00  8.80  2.20  0.50  0.13  0.00  0.00 N_1    
 49.32  0.60 15.10  7.65  0.20 13.08 12.38  1.61  0.06  0.01  0.00  0.00 N_2
 51.05  1.60 14.26 11.49  0.20  7.14 11.79  2.39  0.11  0.13  0.00  0.00 N_3    
 52.25  0.90 15.04  8.46  0.15  8.31  9.30  3.16  0.73  0.15  0.00  0.00 N_4    
 53.10  1.12 17.70  8.70  0.16  5.10  7.80  3.60  1.20  0.23  0.00  0.00 N_5    
 53.03  1.29 17.87  8.59  0.14  3.79  7.89  3.94  1.54  0.34  0.00  0.00 N_6    
 57.46  1.17 18.55  6.20  0.09  1.58  6.60  4.12  2.39  0.54  0.00  0.00 N_7    
 52.73  1.94 13.60 12.66  0.24  4.46  8.37  2.44  1.20  0.33  0.00  1.26 N_8    
 49.65  1.04 20.01  8.49  0.15  3.88 10.40  2.57  0.97  0.23  0.00  1.56 N_9    


   Fig. 7. Example of "ComMaj.Dat" file from the installation program      
           (the progra

5.4  ComTra.Dat 

   This files involves contents trace elements in the rocks and melt to be
simulated (ppm, for the exception of MnO - wt.%). Each sample number is
corresponded to the sample number in "commaj.dat". Thus, in changing the
sequence of major element compositions do not forget to change the colomn
of trace element contents (if you wish to follow the element evolution).                

                                                        
       N_1     N_2     N_3     N_4     N_5     N_6     N_7     N_8     N_9      
Ni    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Co    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Cr    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Sc    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
V     1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Sr    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Ba    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Rb    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Cu    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
La    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Ce    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Nd    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Sm    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Eu    1.00    2.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Gd    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Dy    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Er    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Yb    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      
Lu    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00    1.00      


   Fig. 8. Example of "ComTra.Dat" file from the installation program      


5.5  DiCoef.Dat         
   
   A set of fixed mineral-melt distribution coefficients as a result of
analysis of experimental data on the question (Frenkel et., 1989) is given 
in the "dicoef.dat" file. One can change the non-zero values to any others          
available in literature. If you see ".0" value it means that there is
a temperature/pressure/composition/fO2 dependent equation in the COMAGMAT   
petrological program (Ariskin et al., 1992b). In that case changes in the
file will not result in any differences in output files.
                               
      Oliv   Plag    Aug    Pig    Ilm   Magn                                   
MnO   .0     .030   .0    1.0    1.0    2.0                                     
Ni    .0     .030  6.0    3.0   10.0   29.0                                     
Co    .0     .030  3.0    1.600  5.0    7.400                                   
Cr    .900   .030 10.0    3.0   10.0   50.0                                     
Sc    .370   .030  2.500  1.0     .500  2.500                                   
V     .004   .030  1.500  1.0   10.0   26.0                                     
Sr    .004   .0     .220   .020   .010   .010                                   
Ba    .004   .0     .100   .010   .010   .010                                   
Rb    .004   .200   .100   .010   .010   .010                                   
Cu    .050   .030   .050   .050  1.0    1.0                                     
La    .0     .0     .140   .020   .0     .050                                   
Ce    .0     .0     .160   .020   .0     .050                                   
Nd    .0     .0     .300   .049   .0     .050                                   
Sm    .001   .0     .400   .100   .0     .050                                   
Eu    .001   .0     .0     .068   .0     .050                                   
Gd    .001   .0     .500   .155   .0     .050                                   
Dy    .004   .0     .600   .225   .0     .050                                   
Er    .011   .0     .650   .318   .0     .050                                   
Yb    .027   .0     .650   .400   .0     .050                                   
Lu    .041   .0     .700   .453   .0     .050                                   


   Fig. 9. Example of "Dicoef.Dat" file from the installation program      


5.6  Miners.Dat         

   The file involves parameters of the silicate mineral-melt geothermometers
used in the model; equations for ilmenite and magnetite are defined in the
"comagmat.exe" program (Ariskin et. al., 1992b). We do not recommend to change
the coefficients, although, variations in the pressure defining parameters
(the last string coefficients) may increase accuracy of the calculations at
elevated pressures (especially, for low-Ca pyroxenes).
                
                                                                                    
 =============================================================================  
   Olivine   Plagioclase  HCa Px (Augite)  LCa Px(Pigeonite)  LCa Px(Orthopyr)  
 -----------------------------------------------------------------------------  
   Fo    Fa    An    Ab    En    Fs    Wo    En    Fs    Wo    En    Fs    Wo   
 =============================================================================  
  5543  6457 10641 11683  8521 13535  2408  8502  5865  4371  8870  5698  3409  
 -2.32 -4.22 -1.32 -6.16 -5.16 -9.87 -1.24 -4.74 -4.04 -4.02 -4.90 -3.93 -3.69  
  1.20  1.20  2.00  4.00  2.80  2.80  2.80  2.40  2.40  2.40  3.60  3.60  3.60  
 =============================================================================
 
 
   Fig. 10. Example of "Miners.Dat" file from the installation program      
 
   
5.7  Correc.Dat 

   Using the file you can correct the calculated mineral-melt equilibrium
temperatures and modify by this way a simulated phase diagram for a given
composition. The most simple way of corrections is to define a [Shift] for
each mineral. It is desirable, that the [Shift] would be no more 1-sigma
precision of the geothermometers, i.e. 10-20 C. Systematic differences 
between the calculated and experimental temperatures within a system modelled
(e.g, at elevated alkali contents) may be considered as a basis for that
corrections.
   You can also make the temperature corrections to be dependent on the melt
composition:

             DTemp=[Shift]+a1*SiO2+a2*TiO2+...+a8*K2O+a9*H2O,

where concentrations of components are in wt.% (note, that H2O is the model
content of water in liquid phase, other concentrations are related to a dry
composition). The H2O influence defining parameters allow to account for
the effect of water in a magmatic system, although the coefficients are also
need in testing and correction.

                                      
 ============================================================================== 
 Miner  [Shift]  SiO2   TiO2  Al2O3  "FeO"    MgO   CaO    Na2O    K2O  [ H2O]  
 ============================================================================== 
 Oliv      .00   0.00   0.00   0.00   0.00   0.00   0.00   0.00   0.00  -20.00  
 Plag      .00   0.00   0.00   0.00   0.00   0.00   0.00   0.00   0.00 -120.00  
 Aug       .00   0.00   0.00   0.00   0.00   0.00   0.00   0.00   0.00  -35.00  
 Lpx       .00   0.00   0.00   0.00   0.00   0.00   0.00   0.00   0.00  -50.00  
 Ilm       .00   0.00   0.00   0.00   0.00   0.00   0.00   0.00   0.00  -30.00  
 Magn      .00   0.00   0.00   0.00   0.00   0.00   0.00   0.00   0.00  -30.00  
 ============================================================================== 


   Fig. 11. Example of "Correc.Dat" file from the installation program      


5.8  Intrus.Dat   

   The file involves a set of physical parameters defining dynamics of
the in situ magma differentiation and layered intrusion formation. They
are peculiar to the Convective-Cumulative model and were considered in
a detail by Frenkel et al. (1989) and Ariskin et al. (1992b). The first
10 coefficients are instant parameters while crystal settling velosities
for each minerals may be given as both constant and by the extent of
crystallization (fi) dependent.


   ********** DYNAMIC PARAMETERS TO MODEL INTRUSION LAYERING **********         
   *   500.0   =Hmod: Total thickness of tabular magma body (meters)  *         
   *   0.040   =Fin : Share of intratelluric phases in magma, vol.    *         
   *   2.700   =Dens: Density of surrounding rocks (g/cm**3)          *         
   *   0.006   =Tpl : Heat conduction of surr. rocks, cal/cm*s*grad   *         
   *   0.250   =Cp  : Heat capacity of surrounding rocks, cal/g*grad  *         
   *   1000.   =Dtg : Temperature gradient at upper front, grad C     *         
   *   50.00   =Sut : Duration of chilling regime, *24 hours          *         
   *   0.500   =Kn  : Alfa(lower)/Alfa(upper) heat flux ratio         *         
   *   0.500   =Fkr1: Critical crystallinity for upper zone, vol.     *         
   *   0.700   =Fkr2: Critical crystallinity for lower zone, vol.     *         
   * ============================================================     *         
   * Settling velosities, (m/year): V=A+B*fi**C,   if (fi>Max)A=D     *         
   * ============================================================     *         
   * Phase:   Oliv    Plag     Aug     Lpx     Ilm    Magn            *         
   *   A=   100.00    5.00   75.00   50.00    0.00   25.00            *         
   *   B=      .00     .00     .00     .00     .00     .00            *         
   *   C=      .00     .00     .00     .00     .00     .00            *         
   *   D=      .00     .00     .00     .00     .00     .00            *         
   * Max=     1.00    1.00    1.00    1.00    1.00    1.00            *         
   ********************************************************************         

                                                                       
   Fig. 11. Example of "Intrus.Dat" file from the installation program      


6. Output Files

   There are 3 kind of the output files created in D:\COMAGMAT\OUTPUT
directory. Their main name is always corresponded to the name typed 
during execution of the "comagmat.exe" (see Section 3.5), but extension
is different. The first type file is created in the Mineral-Melt Thermometry
routine and has extension "tmp". In the cases of simulating Fractional
or Equilibrium Crystallization the output files have extension "fr" or 
"eq", while at modeling of Layered Intrusions two files will be created
with the extensions "mag" and "int". All these files have a table form of
the modeling results presentation and can be easy interpreted since both
special comments and a single set of clear abbreviations is present: see
examples of output files in Appendix (Section 9.1).
   Note, that files with the extensions "fr", "eq" or "mag" have the same
fashion and similar to files with "tmp" involve copies of the 3 important 
data files in their top to escape a confusion accumulating results of the
calculations. They may be refered as the model phase equilibria files
(see Appendix). The files with "int" extension represent a structer and
evolution of dynamic parameters for the modelled layered intrusions: for
more information see Ariskin et al. (1992b).
   Mark also, that in the case if during the work with the Menu Manager
program (Section 3.2) you selected MINERALS followed by definition of a
mineral (to print out information on trace element contents) an additional
table will appear in the "fr", "eq" or "mag" files containing evolution
of the trace element distribution coefficients between that solid phase
and melt.
                                                                       
                                                         
7. Troubleshooting      

   There two main reasons that can result in troubleshouting the program.
The most obvious is mistakes in editing data files disturbing a fixed
format of reading the program variables. In that case we recommend to
renew the data file by copying of corresponding "*.bak" file or save the
working files in other directory and reinstall the COMAGMAT program from
the distributive disk (see Section 2.1).  The second one is connected with
the fact that the program has a lot of different modes and can operate in
a wide range of natural compositions, so that we simply could not forsee 
all possible nonstandard situations. Nevertheless a special system of
diagnostic with comments is present (see Section 3.5). We would be also
grateful if you were fixed the troubleshouting parameters and sent the
information to us.
   Moreover, some problems can be arised in using the graphics "paint.exe"
program. If you see only a part of plot on your screen or your printer
does not prints the plot properly, make sure that you correctly indicated
the type of monitor and printer in your request of the program. If not, 
send to us a disk and we will back you a right version of "paint.exe".


8. References                 
                                                                       
Ariskin, A.A., Barmina, G.S., Frenkel, M.Ya., and Yaroshevsky, A.A. (1988)
Simulating low-pressure tholeiite-magma fractional crystallization. 
Geochemistry International, 25(4), 21-37. 

Ariskin, A.A., Frenkel, M.Ya. and Tsekhonya, T.I. (1990) 
High-pressure fractional crystallization of tholeiitic magmas. 
Geochemistry International, 27(9), 10-20. 

Ariskin A.A., Barmina G.S. Computer simulating isobaric and decompression
crystallization of basalt magma at high pressures. "Abstr. of Sec. Intern.
Symp. on Thermodynamics of Natural Processes", Novosibirsk (Russia),
1992, p.7.   

Ariskin, A.A., Bouadze, K.V., Meshalkin, S.S. and Tsekhonya, T.I. (1992a) 
INFOREX: A data base on experimental studies of phase relations in 
silicate systems. American Mineralogist, 77(5/6), 668-669. 

Ariskin, A.A., Frenkel, M.Ya., Barmina, G.S., and Nielsen, R.L. (1992b) 
COMAGMAT: A Fortran program to model magma differentiation processes. 
Submitted to Computers and Geosciences. 

Frenkel, M.Ya., and Ariskin, A.A. (1984) 
A computer algorithm for equilibration in a crystallizing basalt magma. 
Geochemistry International, 21(5), 63-73. 

Frenkel, M.Ya., Yaroshevsky, A.A., Ariskin, A.A., Barmina, G.S., 
Koptev-Dvornikov, E.V., and Kireev, B.S. (1989) Convective-cumulative 
model simulating the formation process for stratified intrusions. 
Magma-crust interactions and evolution. Theophrastus Publications, S.A., 
Athens-Greece, p. 3-88.