D:\jamie\Berple_X>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]: in2.dat Enter thermodynamic data file name, left justified, [default = hp01ver.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: KALO2 Enter old component to be replaced with KALO2: K2O Enter other components (< 12) in KALO2 1 per line, to finish: AL2O3 Enter stoichiometric coefficients of: K2O AL2O3 in KALO2 (in above order): 0.5 0.5 KALO2 = 0.50 K2O 0.50 AL2O3 Is this correct (Y/N)? y The current data base components are: NA2O MGO AL2O3 SIO2 KALO2 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 KALO2 CAO TIO2 MNO FEO O2 Enter names, left justified, 1 per line, to finish: SIO2 KALO2 Use chemical potentials, activities or fugacities as independent variables (Y/N)? Select thermodynamic components from the set: NA2O MGO AL2O3 CAO TIO2 MNO FEO O2 Enter names, left justified, 1 per line, to finish: FEO MGO 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 8 Modify default buffer (max H2O) (Y/N)? y Select buffer: 1 - aQFM, Holland & Powell, 298-1200K 2 - Maximum H2O content, 523-1273K, .5-30kbar 3 - constant f(O2) 4 - aQ-Ru-Cc-Tn-Gph, Holland & Powell 5 - ln(f(O2))= a + (b + c*p)/t + d/t**2 + e/t**3 1 Modify calculated fO2 by a constant (Y/N)? y Enter constant in units of log10(fO2): -1. Compute f(H2) & f(O2) as the dependent fugacities (do not unless you project through carbon) (Y/N)? Reduce graphite activity (Y/N)? m 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]: print2 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]: plot2 **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, to finish: fame ames sdph east tats ftat cel fcel 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 ver025** 0 endmembers for Omph(HP) The solution will not be considered. ... 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 St(TN) Ctd Carp Crd hCrd Sud(Livi) Sud Cumm Anth K-Phen KN-Phen PaCel MuCel Opx(HP) E(HP) O(HP) M(HP) Sp(JR) Sp(GS) Sp(HP) GrPyAlSp(B GrPyAlSp(G GrPyAl(G) GtD Gt(HP) GrPyAl(B) Mn-Opx(HP) MnChl MnSt MnCtd aChl T Bio St Ctd Carp hCrd E(HP) Cumm Anth Sp(HP) Gt(HP) Enter calculation title: test problem 2 Specify values for: P(bars) T(K) For calculation 1, enter zeros to finish. 4000 600 Specify values for: P(bars) T(K) For calculation 2, enter zeros to finish. 4000 700 Specify values for: P(bars) T(K) For calculation 3, enter zeros to finish. 4000 800 Specify values for: P(bars) T(K) For calculation 4, enter zeros to finish. 4000 920 Specify values for: P(bars) T(K) For calculation 5, enter zeros to finish. 4000 1000 Specify values for: P(bars) T(K) For calculation 6, enter zeros to finish. 4000 1100 Specify values for: P(bars) T(K) For calculation 7, enter zeros to finish. 0 0 D:\jamie\Berple_X>vertex Enter computational option file name (i.e. the file created with BUILD), left justified: in2.dat Reading thermodynamic data from file: hp98ver.dat Writing print output to file: print2 Writing plot output to file: plot2 Reading solution models from file: solut.dat **warning ver013** phase k2o has null or negative composition and will be rejected from the composition space. **warning ver114** the following endmembers are missing for aChl ames fame **warning ver501** aChl will be recast with endmembers: 111 - clin 211 - daph Endmember configurational entropies (doc. eq. 8.2) for aChl are: 111 - 11.52622 211 - 11.52622 **warning ver114** the following endmembers are missing for T tats ftat **warning ver501** T will be recast with endmembers: 111 - ta 211 - fta Endmember configurational entropies (doc. eq. 8.2) for T are: 111 - 11.52622 211 - 11.52622 **warning ver114** the following endmembers are missing for Bio east sdph **warning ver501** Bio will be recast with endmembers: 111 - phl 211 - ann Endmember configurational entropies (doc. eq. 8.2) for Bio are: 111 - 11.52622 211 - 11.52622 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 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 6 cycle 4 7 8 cycle 5 9 10 cycle 6 11 12 cycle 7 13 15 cycle 8 16 18 cycle 9 19 21 cycle 10 22 24 cycle 11 25 27 cycle 12 28 31 cycle 13 32 35 cycle 14 36 38 cycle 15 39 42 cycle 16 43 46 cycle 17 47 49 cycle 18 50 53 cycle 19 54 56 cycle 20 57 59 cycle 21 60 62 cycle 22 63 65 cycle 23 66 68 cycle 24 69 71 cycle 25 72 73 Computing the compositional phase relations at condition 2 cycle 1 1 1 cycle 2 2 2 cycle 3 3 3 cycle 4 4 5 cycle 5 6 7 cycle 6 8 10 cycle 7 11 13 cycle 8 14 16 cycle 9 17 19 cycle 10 20 22 cycle 11 23 25 cycle 12 26 29 cycle 13 30 32 cycle 14 33 36 cycle 15 37 39 cycle 16 40 43 cycle 17 44 47 cycle 18 48 50 cycle 19 51 53 cycle 20 54 57 cycle 21 58 60 cycle 22 61 63 cycle 23 64 66 cycle 24 67 68 Computing the compositional phase relations at condition 3 cycle 1 1 1 cycle 2 2 2 cycle 3 3 3 cycle 4 4 4 cycle 5 5 5 cycle 6 6 6 cycle 7 7 7 cycle 8 8 8 cycle 9 9 9 cycle 10 10 10 cycle 11 11 11 cycle 12 12 12 cycle 13 13 13 cycle 14 14 14 cycle 15 15 15 cycle 16 16 16 cycle 17 17 17 cycle 18 18 18 cycle 19 19 19 cycle 20 20 20 cycle 21 21 21 cycle 22 22 22 cycle 23 23 23 cycle 24 24 24 cycle 25 25 25 cycle 26 26 26 cycle 27 27 27 Computing the compositional phase relations at condition 4 cycle 1 1 1 cycle 2 2 2 cycle 3 3 4 cycle 4 5 6 cycle 5 7 8 cycle 6 9 11 cycle 7 12 16 cycle 8 17 19 cycle 9 20 21 cycle 10 22 24 cycle 11 25 27 cycle 12 28 31 cycle 13 32 35 cycle 14 36 39 cycle 15 40 43 cycle 16 44 48 cycle 17 49 51 cycle 18 52 53 Computing the compositional phase relations at condition 5 cycle 1 1 1 cycle 2 2 3 cycle 3 4 6 cycle 4 7 8 cycle 5 9 11 cycle 6 12 14 cycle 7 15 17 cycle 8 18 21 cycle 9 22 24 cycle 10 25 28 cycle 11 29 32 cycle 12 33 39 cycle 13 40 43 cycle 14 44 47 cycle 15 48 52 cycle 16 53 56 cycle 17 57 59 cycle 18 60 61 Computing the compositional phase relations at condition 6 cycle 1 1 1 cycle 2 2 3 cycle 3 4 6 cycle 4 7 11 cycle 5 12 18 cycle 6 19 24 cycle 7 25 27 cycle 8 28 30 cycle 9 31 33 cycle 10 34 36 cycle 11 37 39 cycle 12 40 43 cycle 13 44 47 cycle 14 48 54 cycle 15 55 62 cycle 16 63 67 cycle 17 68 72 cycle 18 73 77 cycle 19 78 83 cycle 20 84 86 cycle 21 87 88 D:\jamie\Berple_X>psvdraw Enter the Perple_X plot file name: plot2 PostScript will be written to file: plot2.ps Draw tielines (y/n[recommended])? n D:\jamie\Berple_X>