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]: in1.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 solid phases of interest. If the volatile species listed here are H2O and CO2, then to constrain oxygen chemical potential to be consistent with C-O-H fluid speciation treat oxygen 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 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 O2 Enter names, left justified, 1 per line, to finish: MGO AL2O3 CAO 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 independent potentials. Do you want to 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 2 Select x-axis variable: 1 - P(bars) 2 - T(K) 3 - Y(CO2) 3 Enter minimum and maximum values, respectively, for: Y(CO2) 0 1 Select y-axis variable: 2 - T(K) 3 - P(bars) 2 Enter minimum and maximum values, respectively, for: T(K) 773 873 Specify sectioning value for: P(bars) 3000 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]: print1 Long print file format (Y/N)? y Write full reaction equations (Y/N)? n Suppress console status messages (Y/N)? n 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 print file name, < 100 characters, left justified [default = pr]: plot1 Specify efficiency level [1-5, default = 3]: 1 - gives lowest efficiency, highest reliability 5 - gives highest efficiency, lowest reliability High values increase probability that a curve may be partially determined or skipped. 3 Exclude phases (Y/N)? y Do you want to be prompted for phases (Y/N)? y Exclude fo (Y/N)? n Exclude mont (Y/N)? y Exclude chum (Y/N)? y Exclude py (Y/N)? n Exclude gr (Y/N)? n Exclude vsv (Y/N)? y Exclude and (Y/N)? n Exclude ky (Y/N)? n Exclude tpz (Y/N)? y Exclude mst (Y/N)? n Exclude mctd (Y/N)? n Exclude merw (Y/N)? y Exclude spu (Y/N)? y Exclude zo (Y/N)? n Exclude cz (Y/N)? y Exclude law (Y/N)? n Exclude pump (Y/N)? n Exclude geh (Y/N)? n Exclude ak (Y/N)? n Exclude rnk (Y/N)? y Exclude ty (Y/N)? y Exclude crd (Y/N)? n Exclude hcrd (Y/N)? y Exclude phA (Y/N)? y Exclude en (Y/N)? n Exclude mgts (Y/N)? y Exclude di (Y/N)? n Exclude cats (Y/N)? y Exclude wo (Y/N)? n Exclude pswo (Y/N)? y Exclude tr (Y/N)? n Exclude ts (Y/N)? y Exclude anth (Y/N)? n Exclude cumm (Y/N)? n Exclude ged (Y/N)? n Exclude spr4 (Y/N)? y Exclude spr7 (Y/N)? y Exclude mcar (Y/N)? n Exclude ma (Y/N)? n Exclude clin (Y/N)? n Exclude ames (Y/N)? y Exclude afchl (Y/N)? y Exclude sud (Y/N)? y Exclude prl (Y/N)? y Exclude ta (Y/N)? n Exclude tats (Y/N)? y Exclude kao (Y/N)? n Exclude pre (Y/N)? n Exclude chr (Y/N)? n Exclude atg (Y/N)? n Exclude an (Y/N)? n Exclude q (Y/N)? n Exclude trd (Y/N)? n Exclude crst (Y/N)? n Exclude coe (Y/N)? n Exclude stv (Y/N)? n Exclude me (Y/N)? n Exclude wrk (Y/N)? n Exclude lmt (Y/N)? n Exclude heu (Y/N)? n Exclude stlb (Y/N)? n Exclude lime (Y/N)? n Exclude per (Y/N)? n Exclude cor (Y/N)? n Exclude sp (Y/N)? n Exclude br (Y/N)? n Exclude dsp (Y/N)? n Exclude cc (Y/N)? n Exclude arag (Y/N)? n Exclude mag (Y/N)? n Exclude dol (Y/N)? n Exclude H2O (Y/N)? n Exclude CO2 (Y/N)? n Exclude sio2 (Y/N)? y Exclude al2o3 (Y/N)? y Exclude mgo (Y/N)? y Exclude cao (Y/N)? y Exclude lrn (Y/N)? y Exclude sill (Y/N)? n Do you want to treat solution phases (Y/N)? n Enter calculation title: Test Problem 1 C:\jamie\perplex_f90>vertex Enter computational option file name (i.e. the file created with BUILD), left justified: in1.dat Reading thermodynamic data from file: hp98ver.dat Writing print output to file: print1 Writing plot output to file: plot1 Reading solution models from file: none requested cycle 1 1 1 cycle 2 2 2 cycle 3 3 4 cycle 4 5 6 cycle 5 7 7 cycle 6 8 8 Initial number of divariant assemblages to be tested is: 8 Testing divariant assemblage 1, 7 assemblages remaining to be tested. finished with equilibrium ( 1) clin tr = ta an Testing divariant assemblage 2, 8 assemblages remaining to be tested. Testing divariant assemblage 3, 7 assemblages remaining to be tested. finished with equilibrium ( 2) tr cc = di finished with equilibrium ( 3) dol = di finished with equilibrium ( 4) dol = tr cc finished with equilibrium ( 3) dol = di finished with equilibrium ( 5) tr = di en finished with equilibrium ( 6) dol en = tr finished with equilibrium ( 3) dol = di finished with equilibrium ( 7) dol mag = tr finished with equilibrium ( 8) mag = en finished with equilibrium ( 8) mag = en finished with equilibrium ( 9) dol ta = tr finished with equilibrium ( 10) mag = ta finished with equilibrium ( 10) mag = ta finished with equilibrium ( 11) tr crd = an en finished with equilibrium ( 12) an mag = tr crd finished with equilibrium ( 8) mag = en finished with equilibrium ( 8) mag = en finished with equilibrium ( 12) an mag = tr crd finished with equilibrium ( 13) an ta = tr crd finished with equilibrium ( 10) mag = ta finished with equilibrium ( 10) mag = ta finished with equilibrium ( 14) ta = en finished with equilibrium ( 10) mag = ta finished with equilibrium ( 15) anth = en finished with equilibrium ( 16) ta = anth Testing divariant assemblage 4, 7 assemblages remaining to be tested. finished with equilibrium ( 17) ma = an and Testing divariant assemblage 5, 7 assemblages remaining to be tested. finished with equilibrium ( 18) zo = an cc finished with equilibrium ( 19) zo = an gr finished with equilibrium ( 20) an cc = gr finished with equilibrium ( 21) zo cc = gr Testing divariant assemblage 6, 7 assemblages remaining to be tested. finished with equilibrium ( 17) ma = and an Testing divariant assemblage 7, 6 assemblages remaining to be tested. Testing divariant assemblage 8, 6 assemblages remaining to be tested. finished with equilibrium ( 22) cc = wo Testing divariant assemblage 9, 6 assemblages remaining to be tested. Testing divariant assemblage 10, 6 assemblages remaining to be tested. finished with equilibrium ( 23) clin = ta and finished with equilibrium ( 24) clin = ta crd finished with equilibrium ( 25) ta and = crd finished with equilibrium ( 26) clin and = crd finished with equilibrium ( 27) and = sill finished with equilibrium ( 28) clin sill = crd finished with equilibrium ( 27) and = sill Testing divariant assemblage 11, 6 assemblages remaining to be tested. Testing divariant assemblage 12, 7 assemblages remaining to be tested. Testing divariant assemblage 13, 6 assemblages remaining to be tested. Testing divariant assemblage 14, 5 assemblages remaining to be tested. Testing divariant assemblage 15, 4 assemblages remaining to be tested. Testing divariant assemblage 16, 3 assemblages remaining to be tested. Testing divariant assemblage 17, 3 assemblages remaining to be tested. Testing divariant assemblage 18, 4 assemblages remaining to be tested. Testing divariant assemblage 19, 3 assemblages remaining to be tested. Testing divariant assemblage 20, 2 assemblages remaining to be tested. Testing divariant assemblage 21, 2 assemblages remaining to be tested. finished with equilibrium ( 29) and mag = crd Testing divariant assemblage 22, 3 assemblages remaining to be tested. Testing divariant assemblage 23, 3 assemblages remaining to be tested. Testing divariant assemblage 24, 3 assemblages remaining to be tested. Testing divariant assemblage 25, 2 assemblages remaining to be tested. Testing divariant assemblage 26, 2 assemblages remaining to be tested. Testing divariant assemblage 27, 2 assemblages remaining to be tested. Testing divariant assemblage 28, 2 assemblages remaining to be tested. Testing divariant assemblage 29, 1 assemblages remaining to be tested. Testing divariant assemblage 30, 2 assemblages remaining to be tested. Testing divariant assemblage 31, 1 assemblages remaining to be tested. Testing divariant assemblage 32, 1 assemblages remaining to be tested. Testing divariant assemblage 33, 0 assemblages remaining to be tested. Testing divariant assemblage 34, 0 assemblages remaining to be tested. C:\jamie\perplex_f90>psvdraw Enter the VERTEX plot file name: plot1 PostScript will be written to file: plot1.ps Modify the default plot (y/n)? C:\jamie\perplex_f90>