C:\jamie\perplex_f90>build
NO is the default () answer to all Y/N prompts
Enter name of computational option file to be created,
< 100 characters, left justified [default = in]:
jn9.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)?
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, 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 MGO AL2O3 SIO2 K2O CAO TIO2 MNO FEO O2 CO2
Enter names, left justified, 1 per line, to finish:
SIO2
AL2O3
K2O
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, 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
11
Compute f(H2) & f(O2) as the dependent fugacities
(do not unless you project through carbon) (Y/N)?
n
Reduce graphite activity (Y/N)?
n
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.
2
Select x-axis variable:
1 - P(bars)
2 - T(K)
3 - X(O)
4 - Composition X(C1)* (user defined)
*Although only 1 component is specified for the saturated fluid phase, the
equation of state permits fluid composition to vary through the variable X(O) .
For pure fluids, specify the appropriate composition as a sectioning constraint.
*X(C1) can not be selected as the y-axis variable
4
Select y-axis variable:
1 - P(bars)
2 - T(K)
3 - X(O)
2
Enter minimum and maximum values, respectively, for: T(K)
575 913
Specify sectioning value for: P(bars)
4000
Specify sectioning value for: X(O)
0.33333333333333
In this mode VERTEX uses a multilevel grid to define true phase boundaries
or pseudocompound assemblage boundaries, the first option is more efficient,
the second option should be selected if physicochemical properties are to be
retrieved from the section.
Select grid refinement mode:
1 - Refine only true phase boundaries [default].
2 - Refine all phase boundaries.
1
The resolution of the y-axis grid is determined by the number of
levels (JLEV) and the resolution at the lowest level (JLOW), such
that the maximum resolution is equivalent to that obtained on a
single level grid with (1+(JLOW-1)*2**(JLEV-1))**2 nodes. To force
VERTEX to use a single level grid, set JLEV=1 and set JLOW equal
to the number of nodes along the y-axis of the grid.
Enter lowest resolution (JLOW) for the grid (2 to finish:
osm1
osm2
fosm
afchl
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 constrained
... 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, 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
hCrd
Cumm
Anth
O(HP)
E(HP)
Sp(HP)
Gt(HP)
Enter calculation title:
Gridded Minimization Version of Test Problem 9 (jn9.dat)
C:\jamie\perplex_f90>vertex
Enter computational option file name (i.e., the file created
with BUILD), left justified:
jn9.dat
Reading thermodynamic data from file: hp98ver.dat
Writing print output to file: printj9
Writing plot output to file: plotj9
Reading solution models from file: solut.dat
Writing bulk composition plot output to file: bplotj9
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
52 minimizations required out of 769 possible. 1.0% done.
104 minimizations required out of 1538 possible. 2.0% done.
149 minimizations required out of 2307 possible. 3.0% done.
194 minimizations required out of 3076 possible. 4.0% done.
232 minimizations required out of 3845 possible. 5.0% done.
270 minimizations required out of 4614 possible. 6.0% done.
312 minimizations required out of 5383 possible. 7.0% done.
354 minimizations required out of 6152 possible. 8.0% done.
396 minimizations required out of 6921 possible. 9.0% done.
435 minimizations required out of 7690 possible. 10.0% done.
480 minimizations required out of 8459 possible. 11.0% done.
525 minimizations required out of 9228 possible. 12.0% done.
570 minimizations required out of 9997 possible. 13.0% done.
615 minimizations required out of 10766 possible. 14.0% done.
660 minimizations required out of 11535 possible. 15.0% done.
705 minimizations required out of 12304 possible. 16.0% done.
749 minimizations required out of 13073 possible. 17.0% done.
793 minimizations required out of 13842 possible. 18.0% done.
837 minimizations required out of 14611 possible. 19.0% done.
881 minimizations required out of 15380 possible. 20.0% done.
925 minimizations required out of 16149 possible. 21.0% done.
969 minimizations required out of 16918 possible. 22.0% done.
1017 minimizations required out of 17687 possible. 23.0% done.
1064 minimizations required out of 18456 possible. 24.0% done.
1111 minimizations required out of 19225 possible. 25.0% done.
1158 minimizations required out of 19994 possible. 26.0% done.
1205 minimizations required out of 20763 possible. 27.0% done.
1252 minimizations required out of 21532 possible. 28.0% done.
1299 minimizations required out of 22301 possible. 29.0% done.
1346 minimizations required out of 23070 possible. 30.0% done.
1396 minimizations required out of 23839 possible. 31.0% done.
1446 minimizations required out of 24608 possible. 32.0% done.
1496 minimizations required out of 25377 possible. 33.0% done.
1546 minimizations required out of 26146 possible. 34.0% done.
1596 minimizations required out of 26915 possible. 35.0% done.
1646 minimizations required out of 27684 possible. 36.0% done.
1696 minimizations required out of 28453 possible. 37.0% done.
1748 minimizations required out of 29222 possible. 38.0% done.
1800 minimizations required out of 29991 possible. 39.0% done.
1852 minimizations required out of 30760 possible. 40.0% done.
1904 minimizations required out of 31529 possible. 41.0% done.
1956 minimizations required out of 32298 possible. 42.0% done.
2008 minimizations required out of 33067 possible. 43.0% done.
2060 minimizations required out of 33836 possible. 44.0% done.
2109 minimizations required out of 34605 possible. 45.0% done.
2158 minimizations required out of 35374 possible. 46.0% done.
2203 minimizations required out of 36143 possible. 47.0% done.
2248 minimizations required out of 36912 possible. 48.0% done.
2293 minimizations required out of 37681 possible. 49.0% done.
2338 minimizations required out of 38450 possible. 50.0% done.
2383 minimizations required out of 39219 possible. 51.0% done.
2444 minimizations required out of 39988 possible. 52.0% done.
2505 minimizations required out of 40757 possible. 53.0% done.
2566 minimizations required out of 41526 possible. 54.0% done.
2627 minimizations required out of 42295 possible. 55.0% done.
2688 minimizations required out of 43064 possible. 56.0% done.
2749 minimizations required out of 43833 possible. 57.0% done.
2810 minimizations required out of 44602 possible. 58.0% done.
2874 minimizations required out of 45371 possible. 59.0% done.
2938 minimizations required out of 46140 possible. 60.0% done.
3002 minimizations required out of 46909 possible. 61.0% done.
3066 minimizations required out of 47678 possible. 62.0% done.
3130 minimizations required out of 48447 possible. 63.0% done.
3194 minimizations required out of 49216 possible. 64.0% done.
3258 minimizations required out of 49985 possible. 65.0% done.
3318 minimizations required out of 50754 possible. 66.0% done.
3378 minimizations required out of 51523 possible. 67.0% done.
3438 minimizations required out of 52292 possible. 68.0% done.
3498 minimizations required out of 53061 possible. 69.0% done.
3558 minimizations required out of 53830 possible. 70.0% done.
3618 minimizations required out of 54599 possible. 71.0% done.
3678 minimizations required out of 55368 possible. 72.0% done.
3733 minimizations required out of 56137 possible. 73.0% done.
3798 minimizations required out of 56906 possible. 74.0% done.
3863 minimizations required out of 57675 possible. 75.0% done.
3928 minimizations required out of 58444 possible. 76.0% done.
3993 minimizations required out of 59213 possible. 77.0% done.
4058 minimizations required out of 59982 possible. 78.0% done.
4123 minimizations required out of 60751 possible. 79.0% done.
4193 minimizations required out of 61520 possible. 80.0% done.
4263 minimizations required out of 62289 possible. 81.0% done.
4333 minimizations required out of 63058 possible. 82.0% done.
4403 minimizations required out of 63827 possible. 83.0% done.
4473 minimizations required out of 64596 possible. 84.0% done.
4540 minimizations required out of 65365 possible. 85.0% done.
4607 minimizations required out of 66134 possible. 86.0% done.
4664 minimizations required out of 66903 possible. 87.0% done.
4721 minimizations required out of 67672 possible. 88.0% done.
4779 minimizations required out of 68441 possible. 89.0% done.
4837 minimizations required out of 69210 possible. 90.0% done.
4895 minimizations required out of 69979 possible. 91.0% done.
4953 minimizations required out of 70748 possible. 92.0% done.
5016 minimizations required out of 71517 possible. 93.0% done.
5080 minimizations required out of 72286 possible. 94.0% done.
5140 minimizations required out of 73055 possible. 95.0% done.
5200 minimizations required out of 73824 possible. 96.0% done.
5251 minimizations required out of 74593 possible. 97.0% done.
5302 minimizations required out of 75362 possible. 98.0% done.
5354 minimizations required out of 76131 possible. 99.0% done.
5403 minimizations required out of 76900 possible. ****% done.
C:\jamie\perplex_f90>psvdraw
Enter the Perple_X plot file name:
plotj9
PostScript will be written to file:
plotj9.ps
Modify the default plot (y/n)?
C:\jamie\perplex_f90>