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]:
in5.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:
K
Enter old component to be replaced with K    :
K2O
Enter other components (< 12) in K     1 per line, <cr> to finish:
AL2O3

Enter stoichiometric coefficients of:
  K2O   AL2O3
in K     (in above order):
0.5 1.5
 K     =   0.50 K2O    1.50 AL2O3
Is this correct (Y/N)?
y

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

Enter stoichiometric coefficients of:
  MGO   AL2O3
in M     (in above order):
0.75 -0.25
 M     =   0.75 MGO   -0.25 AL2O3
Is this correct (Y/N)?
y

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

Enter stoichiometric coefficients of:
  FEO   AL2O3
in F     (in above order):
0.75 -0.25
 F     =   0.75 FEO   -0.25 AL2O3
Is this correct (Y/N)?
y

The current data base components are:
 NA2O  M     AL2O3 SIO2  K     CAO   TIO2  MNO   F     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 solids of interest. If the species listed here are H2O and CO2, then to
constrain O2 chemical potential to be consistent with C-O-H fluid speciation
treat O2 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  M     AL2O3 SIO2  K     CAO   TIO2  MNO   F     O2    CO2
Enter names, left justified, 1 per line, <cr> to finish:
^O2

¤2    is invalid. Check spelling, upper/lower case matches. Try again:

SIO2
K


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

Select thermodynamic components from the set:
 NA2O  M     AL2O3 CAO   TIO2  MNO   F     O2    CO2
Enter names, left justified, 1 per line, <cr> to finish:
F  
M
AL2O3

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

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]:
print5
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]:
plot5

**warning ver013** phase cel      has null or negative composition and will be
 rejected from the composition space.
**warning ver013** phase fcel     has null or negative composition and will be
 rejected from the composition space.
**warning ver013** phase mic      has null or negative composition and will be
 rejected from the composition space.
**warning ver013** phase san      has null or negative composition and will be
 rejected from the composition space.
**warning ver013** phase kals     has null or negative composition and will be
 rejected from the composition space.
**warning ver013** phase lc       has null or negative composition and will be
 rejected from the composition space.
**warning ver013** phase kalo2    has null or negative composition and will be
 rejected from the composition space.
**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:
sud
fsud

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 const

... 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        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
Cumm
Anth
Sp(HP)
Gt(HP)
E(HP)
O(HP)
hCrd
Carp

Enter calculation title:
Test Problem 5

*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 fluids, specify the appropriate composition as a sectioning constraint.

Specify values for:
          P(bars)   T(K)      Y(CO2)
For calculation  1, enter zeros to finish.
7000 810 0

Specify values for:
          P(bars)   T(K)      Y(CO2)
For calculation  2, enter zeros to finish.
7000 830 0

Specify values for:
          P(bars)   T(K)      Y(CO2)
For calculation  3, enter zeros to finish.
7000 850 0

Specify values for:
          P(bars)   T(K)      Y(CO2)
For calculation  4, enter zeros to finish.
7000 870 0

Specify values for:
          P(bars)   T(K)      Y(CO2)
For calculation  5, enter zeros to finish.
7000 890 0

Specify values for:
          P(bars)   T(K)      Y(CO2)
For calculation  6, enter zeros to finish.
7000 910 0

Specify values for:
          P(bars)   T(K)      Y(CO2)
For calculation  7, enter zeros to finish.
0 0 0

C:\jamie\perplex_f90>vertex
Enter computational option file name (i.e. the file created
with BUILD), left justified:
in5.dat

Reading thermodynamic data from file: hp98ver.dat

Writing print output to file: print5

Writing plot output to file: plot5

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


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

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


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

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


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

  111 -  0.00000    211 -  0.00000    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

Computing the compositional phase relations at condition  1
 cycle            1           1           1
 cycle            2           2           3
 cycle            3           4           7
 cycle            4           8          14
 cycle            5          15          23
 cycle            6          24          35
 cycle            7          36          49
 cycle            8          50          65
 cycle            9          66          82
 cycle           10          83          98
 cycle           11          99         113
 cycle           12         114         129
 cycle           13         130         144
 cycle           14         145         160
 cycle           15         161         176
 cycle           16         177         193
 cycle           17         194         207
 cycle           18         208         214
 cycle           19         215         220
 cycle           20         221         223
Computing the compositional phase relations at condition  2
 cycle            1           1           1
 cycle            2           2           3
 cycle            3           4           7
 cycle            4           8          14
 cycle            5          15          23
 cycle            6          24          35
 cycle            7          36          49
 cycle            8          50          65
 cycle            9          66          82
 cycle           10          83          99
 cycle           11         100         115
 cycle           12         116         131
 cycle           13         132         147
 cycle           14         148         165
 cycle           15         166         183
 cycle           16         184         198
 cycle           17         199         205
 cycle           18         206         209
Computing the compositional phase relations at condition  3
 cycle            1           1           1
 cycle            2           2           3
 cycle            3           4           7
 cycle            4           8          14
 cycle            5          15          23
 cycle            6          24          35
 cycle            7          36          49
 cycle            8          50          66
 cycle            9          67          84
 cycle           10          85         101
 cycle           11         102         117
 cycle           12         118         132
 cycle           13         133         148
 cycle           14         149         163
 cycle           15         164         178
 cycle           16         179         190
 cycle           17         191         195
Computing the compositional phase relations at condition  4
 cycle            1           1           1
 cycle            2           2           3
 cycle            3           4           7
 cycle            4           8          14
 cycle            5          15          23
 cycle            6          24          35
 cycle            7          36          49
 cycle            8          50          66
 cycle            9          67          84
 cycle           10          85         102
 cycle           11         103         119
 cycle           12         120         135
 cycle           13         136         150
 cycle           14         151         166
 cycle           15         167         181
 cycle           16         182         193
 cycle           17         194         201
Computing the compositional phase relations at condition  5
 cycle            1           1           1
 cycle            2           2           3
 cycle            3           4           7
 cycle            4           8          14
 cycle            5          15          23
 cycle            6          24          35
 cycle            7          36          49
 cycle            8          50          66
 cycle            9          67          84
 cycle           10          85         102
 cycle           11         103         119
 cycle           12         120         136
 cycle           13         137         153
 cycle           14         154         171
 cycle           15         172         188
 cycle           16         189         195
 cycle           17         196         197
 cycle           18         198         198
Computing the compositional phase relations at condition  6
 cycle            1           1           1
 cycle            2           2           3
 cycle            3           4           7
 cycle            4           8          14
 cycle            5          15          23
 cycle            6          24          35
 cycle            7          36          49
 cycle            8          50          66
 cycle            9          67          84
 cycle           10          85         102
 cycle           11         103         119
 cycle           12         120         136
 cycle           13         137         153
 cycle           14         154         168
 cycle           15         169         180
 cycle           16         181         187
 cycle           17         188         190
 cycle           18         191         192

C:\jamie\perplex_f90>psvdraw

 Enter the VERTEX plot file name:
plot5

 PostScript will be written to file: plot5.ps

 Draw tielines (y/n[recommended])?


C:\jamie\perplex_f90>