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]:
in13.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
CO2
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
Enter names, left justified, 1 per line, to finish:
SIO2
O2
Use chemical potentials, activities or fugacities as independent
variables (Y/N)?
n
Select thermodynamic components from the set:
NA2O MGO AL2O3 K2O CAO TIO2 MNO FEO
Enter names, left justified, 1 per line, to finish:
NA2O
MGO
AL2O3
K2O
CAO
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
10
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)
*X(C1) can not be selected as the y-axis variable
2
Enter minimum and maximum values, respectively, for: T(K)
573 973
Select y-axis variable:
2 - P(bars)
3 - X(O)
2
Enter minimum and maximum values, respectively, for: P(bars)
500 20000
Specify sectioning value for: X(O)
0.33333333333333333333
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:
zo
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 or missing
**warning ver113** F1 is not a valid model because component H2O or CO2
is constrained or missing
**warning ver113** F2 is not a valid model because component H2O or CO2
is constrained or missing
**warning ver025** 0 endmembers for Pmp The solution will not be considered.
**warning ver025** 0 endmembers for Clint The solution will not be considered.
... blah blah ...
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 Gl Tr TrTs trtspg
TrTsPg GlTrTs trhbgl TrHbGl feldspar Pl(h)
Pl AnPl AbPl Ab(h) Ab Kf(h)
Kf San MaPa K-Phen KN-Phen MuPa
PaCel MuCel Pa Mu CzEpPs EpCz
Opx(HP) E(HP) E HeDi(HP) DiCats Cpx(l)
Cpx(h) O(HP) Mont O Do(HP) M(HP)
Cc(AE) Sp(JR) Sp(GS) Sp(HP) Sp Neph(FB)
GrAd(EW) GrAd GrPyAlSp(B GrPyAlSp(G GrPyAl(G) GtD
Gt(HP) GrPyAl(B) Qpx TrEdGl trparg ftr-fparg
trpargglc trgltsch parglcts JdDiHe(l) DiHeJd(h) Mn-Opx(HP)
MnChl MnSt MnCtd h-EpCz
aChl
Bio
St
Carp
Kf
AbPl
San
Cpx(l)
Gl
TrTsPg
hCrd
PaCel
MuCel
EpCz
Gt(HP)
Enter calculation title:
Test Problem 13
D:\jamie\Berple_X>vertex
Enter computational option file name (i.e. the file created
with BUILD), left justified:
in13.dat
Reading thermodynamic data from file: hp98ver.dat
Writing print output to file: none requested
Writing plot output to file: plot13
Reading solution models from file: solut.dat
Writing bulk composition plot output to file: bplot13
Initializing polygon output file: pplot13
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 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
Endmember configurational entropies (doc. eq. 8.2) for TrTsPg are:
111 - 0.00000 211 - 0.00000 121 - 23.05245 221 - 23.05245 131 - 11.52622
231 - 11.52622
Endmember configurational entropies (doc. eq. 8.2) for GlTrTs are:
111 - 0.00000 211 - 0.00000 121 - 0.00000 221 - 0.00000 131 - 11.52622
231 - 11.52622
**warning ver170** cart, you have specified an inconsistent ternary
subdivision scheme with xmx1.ge.(1-xmn2), xmx1 has been set = 1-xmn2
**warning ver170** cart, you have specified an inconsistent ternary
subdivision scheme with xmx1.ge.(1-xmn2), xmx1 has been set = 1-xmn2
Endmember configurational entropies (doc. eq. 8.2) for PaCel are:
111 - 11.52622 211 - 11.52622 311 - 11.52622 121 - 11.52622 221 - 11.52622
321 - 11.52622
Endmember configurational entropies (doc. eq. 8.2) for MuCel are:
111 - 11.52622 211 - 11.52622 311 - 11.52622 121 - 11.52622 221 - 11.52622
321 - 11.52622
Endmember configurational entropies (doc. eq. 8.2) for Cpx(l) are:
111 - 0.00000 211 - 0.00000 311 - 0.00000 411 - 0.00000
**warning ver114** the following endmembers are missing for Gt(HP)
spss
**warning ver501** Gt(HP) will be recast with endmembers:
111 - alm 211 - py 311 - gr
**warning ver176** fluid equation of state routine EVALXH did not converge.
If execution continues this may lead to incorrect results.
To avoid this problem choose a different equation of state.
**warning ver176** fluid equation of state routine EVALXH did not converge.
If execution continues this may lead to incorrect results.
To avoid this problem choose a different equation of state.
**warning ver176** fluid equation of state routine EVALXH did not converge.
If execution continues this may lead to incorrect results.
To avoid this problem choose a different equation of state.
**warning ver176** fluid equation of state routine EVALXH did not converge.
If execution continues this may lead to incorrect results.
To avoid this problem choose a different equation of state.
... blah blah ...
50315 minimizations required out of 575981 possible. 97.4% done.
50391 minimizations required out of 576750 possible. 97.5% done.
50468 minimizations required out of 577519 possible. 97.7% done.
50545 minimizations required out of 578288 possible. 97.8% done.
50622 minimizations required out of 579057 possible. 97.9% done.
50699 minimizations required out of 579826 possible. 98.0% done.
50776 minimizations required out of 580595 possible. 98.2% done.
50854 minimizations required out of 581364 possible. 98.3% done.
50931 minimizations required out of 582133 possible. 98.4% done.
51008 minimizations required out of 582902 possible. 98.6% done.
51088 minimizations required out of 583671 possible. 98.7% done.
51167 minimizations required out of 584440 possible. 98.8% done.
51246 minimizations required out of 585209 possible. 99.0% done.
51325 minimizations required out of 585978 possible. 99.1% done.
51407 minimizations required out of 586747 possible. 99.2% done.
51484 minimizations required out of 587516 possible. 99.3% done.
51561 minimizations required out of 588285 possible. 99.5% done.
51639 minimizations required out of 589054 possible. 99.6% done.
51715 minimizations required out of 589823 possible. 99.7% done.
51789 minimizations required out of 590592 possible. 99.9% done.
51863 minimizations required out of 591361 possible. ****% done.
D:\jamie\Berple_X>psvdraw
Enter the VERTEX plot file name:
plot13
PostScript will be written to file: plot13.ps
Modify the default plot (y/n)?
D:\jamie\Berple_X>