C:\jamie\perplex_f90>build

NO is the default (<cr>) answer to all Y/N prompts

Enter name of computational option file to be created,
< 100 characters, left justified [default = in]:
in3.dat

Enter thermodynamic data file name, left justified, [default = hp98ver.dat]:
hp98ver.dat

The current data base components are:
 NA2O  MGO   AL2O3 SIO2  K2O   CAO   TIO2  MNO   FEO   O2    H2O   CO2
Transform them (Y/N)?
y
Enter new component name, < 6 characters, left justified:
KALO2
Enter old component to be replaced with KALO2:
K2O
Enter other components (< 12) in KALO2 1 per line, <cr> to finish:
AL2O3

Enter stoichiometric coefficients of:
  K2O   AL2O3
in KALO2 (in above order):
0.5 0.5
 KALO2 =   0.50 K2O    0.50 AL2O3
Is this correct (Y/N)?
y

The current data base components are:
 NA2O  MGO   AL2O3 SIO2  KALO2 CAO   TIO2  MNO   FEO   O2    H2O   CO2
Transform them (Y/N)?

Calculations with a saturated phase (Y/N)?
The phase is:   FLUID
Its compositional variable is: Y(CO2), X(O), etc.
y
Select the independent saturated phase components:
 H2O   CO2
Enter names, left justified, 1 per line, <cr> to finish:

For C-O-H fluids it is only necessary to select volatile species
present in the solid phases of interest. If the volatile species
listed here are H2O and CO2, then to constrain oxygen chemical
potential to be consistent with C-O-H fluid speciation treat oxygen
as a saturated component. Refer to the Perple_X Tutorial for details.

H2O

Calculations with saturated components (Y/N)?
y

**warning ver015** if you select > 1 saturated component, then the order you
enter the components determines the saturation heirarchy and may effect your
results (see Connolly 1990).

Select < 6 saturated components from the set:
 NA2O  MGO   AL2O3 SIO2  KALO2 CAO   TIO2  MNO   FEO   O2    CO2
Enter names, left justified, 1 per line, <cr> to finish:
SIO2
AL2O3
KALO2

Use chemical potentials, activities or fugacities as independent
variables (Y/N)?

Select thermodynamic components from the set:
 NA2O  MGO   CAO   TIO2  MNO   FEO   O2    CO2
Enter names, left justified, 1 per line, <cr> to finish:
MGO
FEO

Select fluid equation of state:
   0 - X(CO2) Modified Redlich-Kwong (MRK/DeSantis/Holloway)
   1 - X(CO2) Kerrick & Jacobs 1981 (HSMRK)
   2 - X(CO2) Hybrid MRK/HSMRK
   3 - X(CO2) Saxena & Fei 1987 pseudo-virial expansion
   4 - Bottinga & Richet 1981 (CO2 RK)
   5 - X(CO2) Holland & Powell 1991, 1998 (CORK)
   6 - X(CO2) Hybrid Haar et al 1979/CORK (TRKMRK)
   7 - f(O2/CO2)-f(S2) Graphite buffered COHS MRK fluid
   8 - f(O2/CO2)-f(S2) Graphite buffered COHS hybrid-EoS fluid
   9 - Max X(H2O) GCOH fluid Cesare & Connolly 1993
  10 - X(O) GCOH-fluid hybrid-EoS Connolly & Cesare 1993
  11 - X(O) GCOH-fluid MRK Connolly & Cesare 1993
  12 - X(O)-f(S2) GCOHS-fluid hybrid-EoS Connolly & Cesare 1993
  13 - X(H2) H2-H2O hybrid-EoS
  14 - EoS Birch & Feeblebop (1993)
  15 - X(H2) low T H2-H2O hybrid-EoS
  16 - X(O) H-O HSMRK/MRK hybrid-EoS
  17 - X(O) H-O-S HSMRK/MRK hybrid-EoS
  18 - X(CO2) Delany/HSMRK/MRK hybrid-EoS, for P > 10 kb
  19 - X(O)-X(S) COHS hybrid-EoS Connolly & Cesare 1993
  20 - X(O)-X(C) COHS hybrid-EoS Connolly & Cesare 1993
  21 - X(CO2) Halbach & Chatterjee 1982, P > 10 kb, hybrid-Eos
  22 - X(CO2) DHCORK, hybrid-Eos
  23 - Toop-Samis Silicate Melt
5

The data base has P(bars)  and T(K)     as default independent potentials.
Make one dependent on the other, e.g., as along a geothermal gradient (y/n)?
n


Specify computational mode:

 1 - Unconstrained minimization [default]
 2 - Constrained minimization on a grid
 3 - Output pseudocompound data

Unconstrained optimization should be used for the calculation of composition,
mixed variable, and Schreinemakers diagrams, it may also be used for the
calculation of phase diagram sections for a fixed bulk composition. Gridded
minimization can be used to construct phase diagram sections for both fixed
and variable bulk composition. Gridded minimization is preferable for the
recovery of phase and bulk properties.

1


Specify number of independent potential variables:

  0 - Composition diagram [default]
  1 - Mixed-variable diagram
  2 - Sections and Schreinemakers-type diagrams

2

Select x-axis variable:

          1 - P(bars)
          2 - T(K)
          3 - Y(CO2)

*Although only 1 component is specified for the
saturated fluid phase, the equation of state permits
fluid composition to vary through the variable Y(CO2)  .
For pure fluid properties, specify the appropriate
composition as a sectioning constraint.

2

Enter minimum and maximum values, respectively, for: T(K)
773 1073

Select y-axis variable:

          2 - P(bars)
          3 - Y(CO2)
2

Enter minimum and maximum values, respectively, for: P(bars)
2000 10000

Specify sectioning value for: Y(CO2)
0

Constrain bulk composition (as in pseudosections, y/n)?
n

Do you want a print file (Y/N)?
y
Enter the print file name, < 100 characters, left justified [default = pr]:
print3
Long print file format (Y/N)?
y
Write full reaction equations (Y/N)?
n
Suppress console status messages (Y/N)?
n
Print dependent potentials for chemographies (Y/N)?
Answer no if you do not know what this means.
n

Do you want a plot file (Y/N)?
y
Enter the plot file name, < 100 characters, left justified [default = pl]:
plot3

Specify efficiency level [1-5, default = 3]:
  1 - gives lowest efficiency, highest reliability
  5 - gives highest efficiency, lowest reliability
High values increase probability that a curve
may be partially determined or skipped.
3

**warning ver013** phase k2o      has null or negative composition and will be
 rejected from the composition space.

Exclude phases (Y/N)?
y
Do you want to be prompted for phases (Y/N)?
n
Enter names, left justified, 1 per line, <cr> to finish:
fosm
osm1
osm2
sud
fsud
cel
fcel
tats
ftat
hcrd
hfcrd

Do you want to treat solution phases (Y/N)?
y
Enter solution model file name [default = solut.dat]
left justified, < 100 characters:
solut.dat

**warning ver113** F          is not a valid model because component H2O        or CO2     is c

... blah blah ...

**warning ver114** the following endmembers are missing for MnCtd
  mnctd
**warning ver501** MnCtd      will be recast with endmembers:
          111 - mctd       211 - fctd
Select phases from the following list, enter 1 per line,
left justified, <cr> to finish

  aChl        Chl         sChl        T           Bio         St
  Ctd         Carp        Crd         hCrd        Sud(Livi)   Sud
  Cumm        Anth        K-Phen      KN-Phen     PaCel       MuCel
  Opx(HP)     E(HP)       E           O(HP)       O           Sp(JR)
  Sp(GS)      Sp(HP)      Sp          GrPyAlSp(B  GrPyAlSp(G  GrPyAl(G)
  GtD         Gt(HP)      GrPyAl(B)   Mn-Opx(HP)  MnChl       MnSt
  MnCtd

aChl
T
Bio
St
Ctd
Carp
Crd
E(HP)
O(HP)
Sp(HP)
Gt(HP)
Cumm
Anth

Calculate high variance phase fields (Y/N)?
y
Enter calculation title:
Test Problem 3

C:\jamie\perplex_f90>vertex
 Enter computational option file name (i.e. the file created
 with BUILD), left justified:
in3.dat

 Reading thermodynamic data from file: hp98ver.dat

 Writing print output to file: print3

 Writing plot output to file: plot3

 Reading solution models from file: solut.dat


 Endmember configurational entropies (doc. eq. 8.2) for aChl       are:

  111 - 11.52622    211 - 11.52622    121 -  0.00000    221 -  0.00000

 **warning ver114** the following endmembers are missing for T

  tats      ftat

 **warning ver501** T          will be recast with endmembers:

          111 - ta         211 - fta


 Endmember configurational entropies (doc. eq. 8.2) for T          are:

  111 - 11.52622    211 - 11.52622


 Endmember configurational entropies (doc. eq. 8.2) for Bio        are:

  111 - 11.52622    211 - 11.52622    121 -  0.00000    221 -  0.00000

 **warning ver114** the following endmembers are missing for O(HP)

  teph

 **warning ver501** O(HP)      will be recast with endmembers:

          111 - fo         211 - fa

 **warning ver114** the following endmembers are missing for Gt(HP)

  gr        spss

 **warning ver501** Gt(HP)     will be recast with endmembers:

          111 - alm        211 - py

 cycle            1           1           1
 cycle            2           2           2
 cycle            3           3           3
 cycle            4           4           4
 cycle            5           5           5
 cycle            6           6           6
 cycle            7           7           7
 cycle            8           8           8
 cycle            9           9           9
 cycle           10          10          10
 cycle           11          11          11
 cycle           12          12          12
 cycle           13          13          13
 cycle           14          14          14
 cycle           15          15          15
 Initial number of divariant assemblages to be tested is:   15
 Testing divariant assemblage     1,    14 assemblages remaining to be tested.
 finished with equilibrium (    1) aChl(cl98_84) = Bio(ph98_49)
 finished with equilibrium (    2) aChl(cl98_84) = Bio(ph98_56)
 finished with equilibrium (    3) Bio(ph98_56) = Bio(ph98_49)
 finished with equilibrium (    4) aChl(cl98_84) = Bio(ph98_63)
 finished with equilibrium (    5) Bio(ph98_63) = Bio(ph98_56)
 finished with equilibrium (    6) aChl(clin) = Crd(crd)
 finished with equilibrium (    6) aChl(clin) = Crd(crd)
 finished with equilibrium (    3) Bio(ph98_56) = Bio(ph98_49)
 finished with equilibrium (    7) aChl(cl98_84) = aChl(cl98_91)
 finished with equilibrium (    8) aChl(cl98_91) = Bio(ph98_63)
 finished with equilibrium (    9) aChl(clin) = Bio(phl)
 finished with equilibrium (    9) aChl(clin) = Bio(phl)
 finished with equilibrium (    5) Bio(ph98_63) = Bio(ph98_56)
 finished with equilibrium (    9) aChl(clin) = Bio(phl)
 finished with equilibrium (   10) Bio(phl) = Crd(crd)
 finished with equilibrium (   11) Bio(ph98_70) = Bio(ph98_63)
 finished with equilibrium (   12) aChl(cl98_91) = Bio(ph98_70)
 finished with equilibrium (   11) Bio(ph98_70) = Bio(ph98_63)
 finished with equilibrium (    9) aChl(clin) = Bio(phl)
 finished with equilibrium (   11) Bio(ph98_70) = Bio(ph98_63)
 finished with equilibrium (   10) Bio(phl) = Crd(crd)
 finished with equilibrium (    5) Bio(ph98_56) = Bio(ph98_63)

 ... blah blah ...

Testing divariant assemblage   294,     2 assemblages remaining to be tested.
Testing divariant assemblage   295,     2 assemblages remaining to be tested.
Testing divariant assemblage   296,     1 assemblages remaining to be tested.
Testing divariant assemblage   297,     1 assemblages remaining to be tested.
Testing divariant assemblage   298,     0 assemblages remaining to be tested.

--------------------------------------------------------------------------------


WARNING!! The stability fields of the following equilibria may
have been entirely or partially skipped in the calculation:

 (  465-2) aChl(cl77_56) = aChl(cl77_63)


--------------------------------------------------------------------------------


C:\jamie\perplex_f90>psvdraw

 Enter the VERTEX plot file name:
plot3

 PostScript will be written to file: plot3.ps


 Modify the default plot (y/n)?


C:\jamie\perplex_f90>