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]: in8.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. n Calculations with saturated components (Y/N)? n Use chemical potentials, activities or fugacities as independent variables (Y/N)? n Select thermodynamic components from the set: NA2O MGO AL2O3 SIO2 K2O CAO TIO2 MNO FEO O2 H2O CO2 Enter names, left justified, 1 per line, to finish: CAO MGO SIO2 H2O CO2 **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. **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)? 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) 2 Enter minimum and maximum values, respectively, for: T(K) 740 940 Enter minimum and maximum values, respectively, for: P(bars) 1500 14000 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]: print8 Long print file format (Y/N)? n 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 plot file name, < 100 characters, left justified [default = pl]: plot8 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)? n 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 aChl The solution will not be considered. ... blah blah ... **warning ver025** 0 endmembers for MnCtd The solution will not be considered. Select phases from the following list, enter 1 per line, left justified, to finish F F1 F2 Mont Cc(AE) F Calculate high variance phase fields (Y/N)? n Enter calculation title: Test Problem 8 C:\jamie\perplex_f90>vertex Enter computational option file name (i.e. the file created with BUILD), left justified: in8.dat Reading thermodynamic data from file: hp98ver.dat Writing print output to file: print8 Writing plot output to file: plot8 Reading solution models from file: solut.dat cycle 1 1 1 cycle 2 2 4 cycle 3 5 11 cycle 4 12 24 cycle 5 25 39 cycle 6 40 54 cycle 7 55 74 cycle 8 75 96 cycle 9 97 122 cycle 10 123 158 cycle 11 159 201 cycle 12 202 235 cycle 13 236 260 cycle 14 261 275 cycle 15 276 287 cycle 16 288 299 cycle 17 300 311 cycle 18 312 322 cycle 19 323 329 Initial number of divariant assemblages to be tested is: 329 Testing divariant assemblage 1, 328 assemblages remaining to be tested. finished with equilibrium ( 1) F(H2O) q arag = F(CO0.2) wo finished with equilibrium ( 2) F(H2O) q cc = F(CO0.2) wo finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 4) F(CO0.2) q arag = wo F(CO0.5) finished with equilibrium ( 5) F(CO0.2) q cc = wo F(CO0.5) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc Metastable assemblage in FLIPIT the assemblage is: H2O CO0.2 q wo di v = 10774.7 740.000 0.997805 0.00000 0.00000 Testing divariant assemblage 2, 329 assemblages remaining to be tested. Testing divariant assemblage 3, 330 assemblages remaining to be tested. finished with equilibrium ( 6) F(H2O) di cc = F(CO0.2) wo mont Testing divariant assemblage 4, 333 assemblages remaining to be tested. Testing divariant assemblage 5, 332 assemblages remaining to be tested. finished with equilibrium ( 7) q F(CO0.5) cc = wo F(CO0.8) Testing divariant assemblage 6, 333 assemblages remaining to be tested. finished with equilibrium ( 8) F(CO0.2) di cc = wo F(CO0.5) mont Testing divariant assemblage 7, 336 assemblages remaining to be tested. Testing divariant assemblage 8, 335 assemblages remaining to be tested. Testing divariant assemblage 9, 334 assemblages remaining to be tested. finished with equilibrium ( 9) F(H2O) di cc chum = F(CO0.2) mont finished with equilibrium ( 10) F(CO0.2) di chum = F(H2O) cc fo finished with equilibrium ( 11) F(H2O) di cc fo = F(CO0.2) mont finished with equilibrium ( 12) di chum = F(H2O) mont fo finished with equilibrium ( 13) F(H2O) cc fo = F(CO0.2) chum mont finished with equilibrium ( 12) di chum = F(H2O) mont fo finished with equilibrium ( 14) di cc chum = F(CO0.2) mont fo Testing divariant assemblage 10, 338 assemblages remaining to be tested. finished with equilibrium ( 15) di atg = F(H2O) tr fo Testing divariant assemblage 11, 339 assemblages remaining to be tested. Testing divariant assemblage 12, 338 assemblages remaining to be tested. finished with equilibrium ( 16) di F(CO0.5) cc = wo F(CO0.8) mont Testing divariant assemblage 13, 340 assemblages remaining to be tested. finished with equilibrium ( 17) q F(CO0.5) tr arag = di F(CO0.8) finished with equilibrium ( 18) q F(CO0.5) tr cc = di F(CO0.8) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 19) q F(CO0.8) tr arag = di F(CO1.2) finished with equilibrium ( 20) q F(CO0.8) tr cc = di F(CO1.2) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 21) F(CO0.5) tr arag = di F(CO0.8) dol finished with equilibrium ( 22) F(CO0.5) tr cc = di F(CO0.8) dol finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 23) q tr arag F(CO1.2) = di F(CO1.7) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 24) q tr F(CO1.2) cc = di F(CO1.7) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 25) F(CO0.8) tr arag = di F(CO1.2) dol finished with equilibrium ( 3) arag = cc finished with equilibrium ( 26) F(CO0.8) tr cc = di F(CO1.2) dol finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 27) F(CO0.5) tr cc = di F(CO0.8) atg finished with equilibrium ( 28) F(CO0.5) tr dol = di F(CO0.8) atg finished with equilibrium ( 29) di F(CO0.5) dol = F(CO0.8) cc atg finished with equilibrium ( 30) tr cc atg = di F(CO0.5) dol finished with equilibrium ( 31) tr cc atg = di F(CO0.8) dol finished with equilibrium ( 32) F(CO0.5) tr dol = F(CO0.8) cc atg finished with equilibrium ( 33) tr arag F(CO0.2) = di F(CO0.5) dol finished with equilibrium ( 3) arag = cc finished with equilibrium ( 34) tr cc F(CO0.2) = di F(CO0.5) dol finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 35) q tr arag F(CO1.7) = di F(CO2.3) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 36) q tr F(CO1.7) cc = di F(CO2.3) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 37) q F(CO1.2) dol = tr arag F(CO1.7) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 38) q F(CO1.2) dol = tr F(CO1.7) cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 39) tr arag F(CO1.2) = di F(CO1.7) dol finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 40) tr F(CO1.2) cc = di F(CO1.7) dol finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 41) F(CO0.8) tr cc = di F(CO1.2) atg finished with equilibrium ( 42) F(CO0.8) tr dol = di F(CO1.2) atg finished with equilibrium ( 43) di F(CO0.8) dol = F(CO1.2) cc atg finished with equilibrium ( 44) tr cc atg = di F(CO1.2) dol finished with equilibrium ( 45) F(CO0.8) tr dol = F(CO1.2) cc atg finished with equilibrium ( 46) di F(CO0.5) dol = F(CO0.8) cc fo finished with equilibrium ( 47) F(CO0.5) cc atg = di F(CO0.8) fo finished with equilibrium ( 48) F(CO0.5) dol atg = di F(CO0.8) fo finished with equilibrium ( 49) cc atg = di F(CO0.5) dol fo finished with equilibrium ( 50) cc atg = di F(CO0.8) dol fo finished with equilibrium ( 51) F(CO0.5) dol atg = F(CO0.8) cc fo finished with equilibrium ( 52) tr cc F(CO0.2) = di F(CO0.5) atg finished with equilibrium ( 53) tr dol F(CO0.2) = di F(CO0.5) atg finished with equilibrium ( 54) di dol F(CO0.2) = F(CO0.5) cc atg finished with equilibrium ( 55) tr cc atg = di dol F(CO0.2) finished with equilibrium ( 56) tr dol F(CO0.2) = F(CO0.5) cc atg finished with equilibrium ( 57) q tr arag F(CO2.3) = di F(CO3.0) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 58) q tr F(CO2.3) cc = di F(CO3.0) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 59) q F(CO1.7) dol = tr arag F(CO2.3) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 60) q F(CO1.7) dol = tr F(CO2.3) cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 61) tr arag F(CO1.7) = di F(CO2.3) dol finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 62) tr F(CO1.7) cc = di F(CO2.3) dol finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 63) tr F(CO1.2) cc = di F(CO1.7) atg finished with equilibrium ( 64) tr F(CO1.2) dol = di F(CO1.7) atg finished with equilibrium ( 65) tr cc atg = di F(CO1.7) dol finished with equilibrium ( 66) di F(CO1.2) dol = F(CO1.7) cc atg finished with equilibrium ( 67) tr F(CO1.2) dol = F(CO1.7) cc atg finished with equilibrium ( 68) di F(CO0.8) dol = F(CO1.2) cc fo finished with equilibrium ( 69) F(CO0.8) cc atg = di F(CO1.2) fo finished with equilibrium ( 70) F(CO0.8) dol atg = di F(CO1.2) fo finished with equilibrium ( 71) cc atg = di F(CO1.2) dol fo finished with equilibrium ( 72) F(CO0.8) dol atg = F(CO1.2) cc fo finished with equilibrium ( 73) di dol F(CO0.2) = F(CO0.5) cc fo finished with equilibrium ( 74) cc atg F(CO0.2) = di F(CO0.5) fo finished with equilibrium ( 75) dol atg F(CO0.2) = di F(CO0.5) fo finished with equilibrium ( 76) cc atg = di dol fo F(CO0.2) finished with equilibrium ( 77) dol atg F(CO0.2) = F(CO0.5) cc fo finished with equilibrium ( 78) F(CO0.5) dol atg = F(CO0.8) cc chum finished with equilibrium ( 79) F(CO0.5) dol fo = F(CO0.8) cc chum finished with equilibrium ( 80) F(CO0.8) atg chum = F(CO0.5) fo finished with equilibrium ( 80) F(CO0.8) atg chum = F(CO0.5) fo finished with equilibrium ( 81) dol atg chum = F(CO0.5) cc fo finished with equilibrium ( 82) dol atg chum = F(CO0.8) cc fo finished with equilibrium ( 83) q tr arag F(CO3.0) = di F(CO3.8) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 84) q tr F(CO3.0) cc = di F(CO3.8) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 85) q F(CO2.3) dol = tr arag F(CO3.0) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 86) q F(CO2.3) dol = tr F(CO3.0) cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 87) tr arag F(CO2.3) = di F(CO3.0) dol finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 88) tr F(CO2.3) cc = di F(CO3.0) dol finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 89) tr F(CO1.7) cc = di F(CO2.3) atg finished with equilibrium ( 90) tr F(CO1.7) dol = di F(CO2.3) atg finished with equilibrium ( 91) tr cc atg = di F(CO2.3) dol finished with equilibrium ( 92) di F(CO1.7) dol = F(CO2.3) cc atg finished with equilibrium ( 93) tr F(CO1.7) dol = F(CO2.3) cc atg finished with equilibrium ( 94) tr F(CO1.2) dol = di F(CO1.7) fo finished with equilibrium ( 95) di F(CO1.7) atg = tr F(CO1.2) fo finished with equilibrium ( 96) di dol atg = tr F(CO1.2) fo finished with equilibrium ( 97) di dol atg = tr F(CO1.7) fo finished with equilibrium ( 98) F(CO1.2) dol atg = di F(CO1.7) fo finished with equilibrium ( 99) F(CO1.2) dol atg = tr F(CO1.7) fo finished with equilibrium ( 100) di F(CO1.2) dol = F(CO1.7) cc fo finished with equilibrium ( 101) F(CO1.2) cc atg = di F(CO1.7) fo finished with equilibrium ( 102) cc atg = di F(CO1.7) dol fo finished with equilibrium ( 103) F(CO1.2) dol atg = F(CO1.7) cc fo finished with equilibrium ( 104) di dol chum = cc atg fo finished with equilibrium ( 105) cc atg = di dol F(CO0.2) chum finished with equilibrium ( 106) di dol chum = cc fo F(CO0.2) finished with equilibrium ( 107) cc atg chum = di fo F(CO0.2) finished with equilibrium ( 108) dol atg chum = di fo F(CO0.2) finished with equilibrium ( 109) dol atg chum = cc fo F(CO0.2) finished with equilibrium ( 110) dol atg F(CO0.2) = F(CO0.5) cc chum finished with equilibrium ( 111) dol fo F(CO0.2) = F(CO0.5) cc chum finished with equilibrium ( 112) F(CO0.5) atg chum = fo F(CO0.2) finished with equilibrium ( 112) F(CO0.5) atg chum = fo F(CO0.2) finished with equilibrium ( 113) F(CO0.5) atg mag = F(CO0.8) fo finished with equilibrium ( 114) F(CO0.5) atg mag = F(CO0.8) chum finished with equilibrium ( 115) F(CO0.5) fo mag = F(CO0.8) chum finished with equilibrium ( 116) atg chum mag = F(CO0.5) fo finished with equilibrium ( 117) atg chum mag = F(CO0.8) fo finished with equilibrium ( 118) q tr arag F(CO3.8) = di F(CO4) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 119) q tr F(CO3.8) cc = di F(CO4) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 120) q F(CO3.0) dol = tr arag F(CO3.8) finished with equilibrium ( 3) arag = cc finished with equilibrium ( 3) arag = cc finished with equilibrium ( 121) q F(CO3.0) dol = tr F(CO3.8) cc finished with equilibrium ( 3) arag = cc ... blah blah ... Testing divariant assemblage 2961, 16 assemblages remaining to be tested. Testing divariant assemblage 2962, 15 assemblages remaining to be tested. Testing divariant assemblage 2963, 14 assemblages remaining to be tested. Testing divariant assemblage 2964, 13 assemblages remaining to be tested. Testing divariant assemblage 2965, 12 assemblages remaining to be tested. Metastable assemblage in FLIPIT the assemblage is: tr CO44 en mag fo v = 6500.00 940.000 0.997805 0.00000 0.00000 Testing divariant assemblage 2966, 11 assemblages remaining to be tested. Testing divariant assemblage 2967, 10 assemblages remaining to be tested. Testing divariant assemblage 2968, 9 assemblages remaining to be tested. Testing divariant assemblage 2969, 8 assemblages remaining to be tested. Testing divariant assemblage 2970, 7 assemblages remaining to be tested. Testing divariant assemblage 2971, 6 assemblages remaining to be tested. Testing divariant assemblage 2972, 6 assemblages remaining to be tested. Testing divariant assemblage 2973, 5 assemblages remaining to be tested. Testing divariant assemblage 2974, 4 assemblages remaining to be tested. Testing divariant assemblage 2975, 3 assemblages remaining to be tested. Metastable assemblage in FLIPIT the assemblage is: CO92 tr dol ta q v = 1578.12 740.000 0.997805 0.00000 0.00000 Testing divariant assemblage 2976, 2 assemblages remaining to be tested. Metastable assemblage in FLIPIT the assemblage is: CO90 tr dol ta q v = 1734.37 740.000 0.997805 0.00000 0.00000 Testing divariant assemblage 2977, 1 assemblages remaining to be tested. Testing divariant assemblage 2978, 1 assemblages remaining to be tested. Testing divariant assemblage 2979, 1 assemblages remaining to be tested. Testing divariant assemblage 2980, 1 assemblages remaining to be tested. Testing divariant assemblage 2981, 1 assemblages remaining to be tested. Testing divariant assemblage 2982, 0 assemblages remaining to be tested. Testing divariant assemblage 2983, 0 assemblages remaining to be tested. Testing divariant assemblage 2984, 0 assemblages remaining to be tested. Testing divariant assemblage 2985, 0 assemblages remaining to be tested. -------------------------------------------------------------------------------- WARNING!! The stability fields of the following equilibria may have been entirely or partially skipped in the calculation: ( 562-2) fo ta F(CO22) = F(CO19) anth ( 563-1) en ta = anth ( 564-2) fo F(CO22) anth = F(CO19) en -------------------------------------------------------------------------------- C:\jamie\perplex_f90>psvdraw Enter the VERTEX plot file name: plot8 PostScript will be written to file: plot8.ps Modify the default plot (y/n)? y Modify default drafting options (y/n)? answer yes to modify: - picture transformation - x-y plotting limits - relative lengths of axes - text label font size - line thickness - curve smoothing - axes labeling and gridding Restrict phase fields by variance (y/n)? answer yes to: - draw curves and points that do not correspond to true phase boundaries - suppress univariant curves and invariant points - suppress phase fields depending upon true variance y Suppress pseudounivariant curves (y/n)? y Suppress pseudoinvariant points (y/n)? Restrict phase fields by phase identities (y/n)? answer yes to: - show fields that contain a specific assemblage - show fields that do not contain specified phases - show fields that contain any of a set of specified phases Modify default equilibrium labeling (y/n)? answer yes to: - modify/suppress [pseudo-] univariant curve labels - suppress [pseudo-] invariant point labels C:\jamie\perplex_f90>