C:\jamie\Berple_X\lausanne>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]:
in18.dat
Enter thermodynamic data file name, left justified, [default = hp02ver.dat]:
The current data base components are:
NA2O MGO AL2O3 SIO2 K2O CAO TIO2 MNO FEO NIO ZRO2 CL2
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.
Calculations with saturated components (Y/N)?
Use chemical potentials, activities or fugacities as independent
variables (Y/N)?
Select thermodynamic components from the set:
NA2O MGO AL2O3 SIO2 K2O CAO TIO2 MNO FEO NIO ZRO2 CL2
O2 H2O CO2
Enter names, left justified, 1 per line, to finish:
NA2O
MGO
AL2O3
SIO2
K2O
CAO
FEO
H2O
**warning ver016** you are going to treat a saturated (fluid) phase component
as a thermodynamic component, this may not be what you want to do.
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)?
y
Select dependent variable:
1 - P(bars) = f(T(K) )
2 - T(K) = f(P(bars) )
1
The dependence must be described by the polynomial
P(bars) = Sum ( c(i) * [T(K)]^i, i = 0..n)
Enter n (<5)
1
Enter c( 0)
44000
Enter c( 1)
-40
Specify computational mode:
1 - Unconstrained minimization [default]
2 - Constrained minimization on a grid
3 - Output pseudocompound data
4 - Phase fractionation calculations
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.
4
Select mode:
1 - arbitrary user specified coordinates
2 - path with variable P(bars)
2
Enter start and end values, respectively, for: P(bars)
12000 6000
How many points along the path?
100
Specify component amounts by weight (Y/N)?
n
Enter molar amounts of the components:
NA2O MGO AL2O3 SIO2 K2O CAO FEO H2O
for the bulk composition of interest:
3.16 5.73 17 105.7 3.56 2.21 9.05 40.
Do you want a print file (Y/N)?
y
Enter the print file name, < 100 characters, left justified [default = pr]:
print18
Print pseudodivariant assemblage data (y/n)?
y
Print dependent potentials for chemographies (Y/N)?
Answer no if you do not know what this means.
Do you want a plot file (Y/N)?
y
Enter the plot file name, < 100 characters, left justified [default = pl]:
plot18
**warning ver013** phase femg-1 has null or negative composition and will be
rejected from the composition space.
Exclude phases (Y/N)?
Do you want to treat solution phases (Y/N)?
y
Enter solution model file name [default = newest_format_solut.dat]
left justified, < 100 characters:
**warning ver114** the following endmembers are missing for MnBio(HP)
mnbi mnts_i
**warning ver114** the following endmembers are missing for MnChl(HP)
mame_i mafchl_i mnchl
**warning ver025** 0 endmembers for MELTS(GS) The solution will not be considered.
**warning ver025** 1 endmembers for Ep(HP) The solution will not be considered.
**warning ver114** the following endmembers are missing for GaHcSp
gah
**warning ver025** 0 endmembers for Scp The solution will not be considered.
**warning ver025** 1 endmembers for F The solution will not be considered.
**warning ver025** 1 endmembers for F1 The solution will not be considered.
**warning ver025** 1 endmembers for F2 The solution will not be considered.
**warning ver114** the following endmembers are missing for MnSt(HP)
mnst
**warning ver114** the following endmembers are missing for Ctd(HP)
mnctd
**warning ver114** the following endmembers are missing for hCrd
mncrd hmncrd_i
**warning ver025** 0 endmembers for Pmp The solution will not be considered.
**warning ver025** 0 endmembers for Clint The solution will not be considered.
**warning ver025** 1 endmembers for A The solution will not be considered.
**warning ver025** 1 endmembers for Kf(H) The solution will not be considered.
**warning ver025** 1 endmembers for Kspar The solution will not be considered.
**warning ver025** 0 endmembers for GCOHF The solution will not be considered.
**warning ver025** 0 endmembers for GCOHF1 The solution will not be considered.
**warning ver025** 0 endmembers for GCOHF2 The solution will not be considered.
**warning ver025** 0 endmembers for H2OM The solution will not be considered.
**warning ver114** the following endmembers are missing for O(HP)
teph
**warning ver025** 0 endmembers for Do(HP) The solution will not be considered.
**warning ver025** 0 endmembers for M(HP) The solution will not be considered.
**warning ver025** 0 endmembers for Do(AE) The solution will not be considered.
**warning ver025** 0 endmembers for Cc(AE) The solution will not be considered.
**warning ver025** 0 endmembers for MF The solution will not be considered.
**warning ver025** 0 endmembers for Ilm(W) The solution will not be considered.
**warning ver025** 0 endmembers for Mt(W) The solution will not be considered.
**warning ver025** 0 endmembers for IlHm(A) The solution will not be considered.
**warning ver025** 0 endmembers for Il(A) The solution will not be considered.
**warning ver025** 0 endmembers for IlPy The solution will not be considered.
**warning ver025** 0 endmembers for IlGk The solution will not be considered.
**warning ver025** 0 endmembers for Hm(A) The solution will not be considered.
**warning ver025** 0 endmembers for MtUl(A) The solution will not be considered.
**warning ver025** 0 endmembers for Mt(A) The solution will not be considered.
**warning ver025** 0 endmembers for Usp(A) The solution will not be considered.
**warning ver025** 1 endmembers for GrAd(EW) The solution will not be considered.
**warning ver025** 1 endmembers for GrAd The solution will not be considered.
**warning ver114** the following endmembers are missing for GrPyAlSp(B
spss
**warning ver114** the following endmembers are missing for GrPyAlSp(G
spss
**warning ver114** the following endmembers are missing for Gt(HP)
spss
**warning ver025** 0 endmembers for casmelt The solution will not be considered.
**warning ver025** 1 endmembers for Fphl The solution will not be considered.
**warning ver114** the following endmembers are missing for Qpx
cen cfs
**warning ver025** 1 endmembers for lcENDI The solution will not be considered.
**warning ver025** 1 endmembers for lcFSHD The solution will not be considered.
**warning ver025** 0 endmembers for humite The solution will not be considered.
**warning ver025** 0 endmembers for Toop-Melt The solution will not be considered.
**warning ver114** the following endmembers are missing for Mn-Opx
don dts
**warning ver025** 0 endmembers for oCcM(HP) The solution will not be considered.
Select phases from the following list, enter 1 per line,
left justified, to finish
MnBio(HP) Bio(HP) Chl(HP) MnChl(HP) O(SG) E(SG)
Omph(HP) Cpx(HP) melt(HP) pMELTS(G) Opx(HP) Pheng(HP)
Sapp(HP) GaHcSp T MnSt(HP) Ctd(HP) Carp
hCrd Sud(Livi) Sud Cumm Anth Gl
Tr TrTsPg(HP) GlTrTs GlTrTsPg feldspar Pl(h)
AnPl AbPl Ab(h) Ab Kf(h) Kf
San MaPa KN-Phen MuCel PaCel MuPa
Pa Mu O(HP) Cpx(l) Cpx(h) Mont
Sp(JR) Sp(GS) Sp(HP) Neph(FB) GrPyAlSp(B GrPyAlSp(G
Gt(HP) GrPyAl(B) A-phase Chum Atg B
P Qpx Mn-Opx OrFsp(C1) AbFsp(C1) Pl(I1,HP)
Fsp(C1) MuPaMa(CH)
Chl(HP)
AbPl
Kf
San
Pa
Bio(HP)
Carp
Cpx(HP)
Gl
TrTsPg(HP)
hCrd
Pheng(HP)
Gt(HP)
MnSt(HP)
The solution model file defines the following dependent endembers:
mnts_i sdph_i fame_i fafchl_i mame_i mafchl_i fets_i
fsp4_i ftat_i hfcrd_i hmncrd_i fparg_i fts_i fgl_i
ncel_i nfcel_i
Exclude any of these endmembers (y/n)?
Enter calculation title:
eruieur
C:\jamie\Berple_X\lausanne>vertex
Enter computational option file name (i.e. the file created
with BUILD), left justified:
in18.dat
Reading thermodynamic data from file: hp02ver.dat
Writing print output to file: print18
Writing plot output to file: plot18
Writing pseudocompound glossary to file: pseudocompound_glossary.dat
Reading solution models from file: newest_format_solut.dat
Writing bulk composition plot output to file: bplot18
Initializing polygon output file: pplot18
Generating pseudocompounds, this may take a while...
Endmember configurational entropies (doc. eq. 8.2) for Bio(HP) are:
phl - 11.52622 ann - 11.52622 east - 0.00000
sdph_i - 0.00000
1678 pseudocompounds generated for: Bio(HP)
Endmember configurational entropies (doc. eq. 8.2) for Chl(HP) are:
clin - 11.52622 ames - 0.00000 afchl - 0.00000
daph - 11.52622 fame_i - 0.00000 fafchl_i - 0.00000
32796 pseudocompounds generated for: Chl(HP)
Endmember configurational entropies (doc. eq. 8.2) for Cpx(HP) are:
jd - 0.00000 di - 0.00000 hed - 0.00000
558 pseudocompounds generated for: Cpx(HP)
**warning ver041** icky pseudocompound names for solution model: melt(HP)
refer to pseudocompound_glossary.dat file for pseudocompound definitions.
131514 pseudocompounds generated for: melt(HP)
Endmember configurational entropies (doc. eq. 8.2) for Pheng(HP) are:
mu - 11.52622 cel - 0.00000 fcel - 0.00000
pahp - 11.52622
**warning ver041** icky pseudocompound names for solution model: Pheng(HP)
refer to pseudocompound_glossary.dat file for pseudocompound definitions.
7766 pseudocompounds generated for: Pheng(HP)
**warning ver114** the following endmembers are missing for MnSt(HP)
mnst
Endmember configurational entropies (doc. eq. 8.2) for MnSt(HP) are:
fst - 0.00000 mst - 0.00000
49 pseudocompounds generated for: MnSt(HP)
45 pseudocompounds generated for: Carp
**warning ver114** the following endmembers are missing for hCrd
mncrd hmncrd_i
Endmember configurational entropies (doc. eq. 8.2) for hCrd are:
fcrd - 0.00000 crd - 0.00000 hcrd - 0.00000
hfcrd_i - 0.00000
**warning ver041** icky pseudocompound names for solution model: hCrd
refer to pseudocompound_glossary.dat file for pseudocompound definitions.
465 pseudocompounds generated for: hCrd
35 pseudocompounds generated for: Gl
Endmember configurational entropies (doc. eq. 8.2) for TrTsPg(HP) are:
tr - 0.00000 ftr - 0.00000 parg - 23.05245
ts_dqf - 0.00000 fparg_i - 23.05245 fts_i - 0.00000
4441 pseudocompounds generated for: TrTsPg(HP)
Endmember configurational entropies (doc. eq. 8.2) for AbPl are:
an - 0.00000 abh - 11.52622
46 pseudocompounds generated for: AbPl
45 pseudocompounds generated for: Kf
81 pseudocompounds generated for: San
Endmember configurational entropies (doc. eq. 8.2) for Pa are:
mu - 0.00000 pa - 0.00000
7 pseudocompounds generated for: Pa
**warning ver114** the following endmembers are missing for Gt(HP)
spss
Endmember configurational entropies (doc. eq. 8.2) for Gt(HP) are:
alm - 0.00000 py - 0.00000 gr - 0.00000
1222 pseudocompounds generated for: Gt(HP)
Done generating pseudocompounds (total: 180748)
Fractionate phases?
y
Enter the name of a phase to be fractionated
(left justified, to finish):
Gt(HP)
Enter the name of a phase to be fractionated
(left justified, to finish):
Fractionating 0.627928E-01 moles of Gt(HP); changes bulk by:
0.00000 0.800608E-02 0.627928E-01 0.188378 0.00000 0.522750E-01 0.128097 0.00000
Fractionating 0.126479E-14 moles of Gt(HP); changes bulk by:
0.00000 0.161261E-15 0.126479E-14 0.379438E-14 0.00000 0.105294E-14 0.258018E-14 0.00000
Fractionating 0.00000 moles of Gt(HP); changes bulk by:
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Fractionating 0.00000 moles of Gt(HP); changes bulk by:
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Fractionating 0.00000 moles of Gt(HP); changes bulk by:
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Fractionating 0.111408E-01 moles of Gt(HP); changes bulk by:
0.00000 0.142045E-02 0.111408E-01 0.334223E-01 0.00000 0.927469E-02 0.227272E-01 0.00000
Fractionating 0.00000 moles of Gt(HP); changes bulk by:
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Fractionating 0.00000 moles of Gt(HP); changes bulk by:
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Fractionating 0.00000 moles of Gt(HP); changes bulk by:
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Fractionating 0.00000 moles of Gt(HP); changes bulk by:
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Fractionating 0.184094 moles of Gt(HP); changes bulk by:
0.00000 0.234719E-01 0.184094 0.552281 0.00000 0.141522 0.387287 0.00000
Fractionating 0.533811E-02 moles of Gt(HP); changes bulk by:
0.00000 0.680609E-03 0.533811E-02 0.160143E-01 0.00000 0.410367E-02 0.112300E-01 0.00000
Fractionating 0.00000 moles of Gt(HP); changes bulk by:
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Fractionating 0.388838 moles of Gt(HP); changes bulk by:
0.00000 0.743653E-01 0.388838 1.16651 0.00000 0.274131 0.818018 0.00000
Fractionating 0.718714E-02 moles of Gt(HP); changes bulk by:
0.00000 0.137454E-02 0.718714E-02 0.215614E-01 0.00000 0.506693E-02 0.151199E-01 0.00000
Gt(HP) is not stable.
Gt(HP) is not stable.
Fractionating 0.444248 moles of Gt(HP); changes bulk by:
0.00000 0.849625E-01 0.444248 1.33274 0.00000 0.313195 0.934587 0.00000
Fractionating -.118677E-14 moles of Gt(HP); changes bulk by:
0.00000 -.226970E-15 -.118677E-14 -.356031E-14 0.00000 -.836672E-15 -.249667E-14 0.00000
Fractionating 0.416278E-02 moles of Gt(HP); changes bulk by:
0.00000 0.796131E-03 0.416278E-02 0.124883E-01 0.00000 0.266938E-02 0.902282E-02 0.00000
Fractionating 0.963830E-01 moles of Gt(HP); changes bulk by:
0.00000 0.245777E-01 0.963830E-01 0.289149 0.00000 0.618056E-01 0.202766 0.00000
Fractionating 0.344148 moles of Gt(HP); changes bulk by:
0.00000 0.877577E-01 0.344148 1.03244 0.00000 0.220685 0.724001 0.00000
Fractionating -.125004E-14 moles of Gt(HP); changes bulk by:
0.00000 -.318759E-15 -.125004E-14 -.375011E-14 0.00000 -.801586E-15 -.262976E-14 0.00000
Fractionating 0.822810E-01 moles of Gt(HP); changes bulk by:
0.00000 0.209817E-01 0.822810E-01 0.246843 0.00000 0.527627E-01 0.173099 0.00000
Fractionating 0.264056E-02 moles of Gt(HP); changes bulk by:
0.00000 0.673343E-03 0.264056E-02 0.792168E-02 0.00000 0.169326E-02 0.555508E-02 0.00000
Fractionating -.546970E-15 moles of Gt(HP); changes bulk by:
0.00000 -.139477E-15 -.546970E-15 -.164091E-14 0.00000 -.315875E-15 -.118556E-14 0.00000
Fractionating 0.300553 moles of Gt(HP); changes bulk by:
0.00000 0.766409E-01 0.300553 0.901658 0.00000 0.173569 0.651448 0.00000
Fractionating 0.111463E-02 moles of Gt(HP); changes bulk by:
0.00000 0.355288E-03 0.111463E-02 0.334389E-02 0.00000 0.643698E-03 0.234490E-02 0.00000
Fractionating 0.356878E-01 moles of Gt(HP); changes bulk by:
0.00000 0.113755E-01 0.356878E-01 0.107063 0.00000 0.206097E-01 0.750781E-01 0.00000
Fractionating 0.826635E-01 moles of Gt(HP); changes bulk by:
0.00000 0.263490E-01 0.826635E-01 0.247990 0.00000 0.477382E-01 0.173903 0.00000
Fractionating 0.529706E-01 moles of Gt(HP); changes bulk by:
0.00000 0.168844E-01 0.529706E-01 0.158912 0.00000 0.272136E-01 0.114814 0.00000
Fractionating 0.00000 moles of Gt(HP); changes bulk by:
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Fractionating 0.00000 moles of Gt(HP); changes bulk by:
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Fractionating 0.233829E-01 moles of Gt(HP); changes bulk by:
0.00000 0.104346E-01 0.233829E-01 0.701488E-01 0.00000 0.605033E-02 0.536638E-01 0.00000
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Fractionating 0.551524E-01 moles of Gt(HP); changes bulk by:
0.00000 0.246118E-01 0.551524E-01 0.165457 0.00000 0.107547E-01 0.130091 0.00000
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Fractionating 0.494576E-01 moles of Gt(HP); changes bulk by:
0.00000 0.252234E-01 0.494576E-01 0.148373 0.00000 0.964423E-02 0.113505 0.00000
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Gt(HP) is not stable.
Initial number of divariant assemblages to be tested is: 1
Testing divariant assemblage 1, 0 assemblages remaining to be tested.
TO SEE THE RESULTS OF THIS CALCULATION YOU MUST LOOK IN THE PRINT FILE:
PRINT18
AND THE COMPOSITION OF THE FRACTIONATED PHASE IS IN THE FILE
Gt(HP).dat