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