hp633ver.dat thermodynamic data file print | print generates print output plot | no_plot suppresses plot output solution_model.dat | solution model file, blank = none NIL 16-1 perplex_option.dat | Perple_X option file 5 calculation type: 0 - composition, 1 - Schreinemakers, 3 - Mixed, 4 - swash, 5 - gridded min, 7 - 1d fract, 8 - gwash, 9 - 2d fract, 10 - 7 w/file input 0 unused place holder, post 06 0 unused place holder, post 06 0 unused place holder, post 06 0 unused place holder, post 06 0 unused place holder, post 06 0 unused place holder, post 06 0 unused place holder, post 06 0 unused place holder, post 06 0 unused place holder, post 06 0 number component transformations 19 number of components in the data base 0 component amounts, 0 - molar, 1 weight 0 unused place holder, post 06 0 unused place holder, post 06 0 unused place holder, post 05 14 ifug EoS for saturated phase 2 gridded minimization dimension (1 or 2) 0 special dependencies: 0 - P and T independent, 1 - P(T), 2 - T(P) 0.00000 0.00000 0.00000 0.00000 0.00000 Geothermal gradient polynomial coeffs. begin thermodynamic component list Na2O 1 3.167 -831037. MgO 1 152.632 -649864. Al2O3 1 93.307 -0.168570E+07 CaO 1 140.596 -764518. FeO 1 163.188 -343580. TiO2 1 1.667 -966292. Cr2O3 1 0.394 -0.125234E+07 SiO2 1 445.050 -915728. O2 1 5.587 -422705. end thermodynamic component list begin saturated component list end saturated component list begin saturated phase component list end saturated phase component list begin independent potential/fugacity/activity list end independent potential list begin excluded phase list O2 mic geik ilm ilm_nol ru end excluded phase list begin solution phase list Cpx(HGP) melt(HGPH) Gt(HGP) Opx(HGP) Ilm(DS6) Sp(HGP) feldspar O(HGP) end solution phase list 15000. 1273.0 0.00000000 0.0000 0.0000 max p, t, xco2, u1, u2 5000.0 973.0 0.00000000 0.0000 0.0000 min p, t, xco2, u1, u2 0.0000 0.000 0.00000000 0.0000 0.0000 unused place holder post 06 2 1 4 5 3 indices of 1st & 2nd independent & sectioning variables Verification of the objective gradients. ---------------------------------------- XXX The objective gradients seem to be incorrect. Directional derivative of the objective -1.52918102D+06 Difference approximation -1.56824811D+06 J X(J) DX(J) G(J) Difference approxn Itns 1 2.00D-01 1.81D-10 -2.14303091D+07 -2.12356061D+07 BAD? 2 2 -2.00D-01 1.81D-10 -2.14257221D+07 -2.12310189D+07 BAD? 2 3 2.00D-01 8.62D-07 -2.10186060D+07 -2.10186060D+07 OK 2 4 4.00D-01 1.22D-06 -2.09995695D+07 -2.09995695D+07 OK 2 5 0.00D+00 2.34D-10 -2.12170071D+07 -2.11208119D+07 BAD? 2 6 0.00D+00 1.17D-10 -2.18461920D+07 -2.14613962D+07 BAD? 2 7 1.20D-01 7.62D-07 -2.09926462D+07 -2.09926462D+07 OK 2 8 5.60D-01 1.54D-06 -2.10132880D+07 -2.10132880D+07 OK 2 9 2.00D-01 1.05D-06 -2.10295296D+07 -2.10295296D+07 OK 2 10 -3.20D-01 1.14D-06 6.43903366D+05 6.43903366D+05 OK 2 XXX There seem to be 4 incorrect objective gradients out of the 10 set in cols 1 through 10 The largest relative error was 1.76D-02 in element 6 Maj Mnr Step Objective Norm Gz Cond Hz 0 10 0.0D+00 -1.027543D+07 0.0D+00 1.0D+00 1 6 1.0D+00 -4.253787D+07 2.4D+05 1.0D+00 2 5 1.0D+00 -4.259542D+07 3.8D+05 1.0D+00 3 9 8.0D-03 -4.259569D+07 5.4D+04 1.0D+00 4 5 5.6D-05 -4.259569D+07 5.6D+04 2.1D+03 5 5 9.8D-01 -4.261114D+07 5.8D+04 6.3D+04 6 7 1.2D-02 -4.261140D+07 2.9D+04 1.0D+00 7 2 9.7D-01 -4.263347D+07 8.8D+04 2.4D+03 8 6 3.6D-01 -4.263372D+07 8.7D+04 2.2D+04 9 7 6.5D-01 -4.263396D+07 8.0D+04 2.2D+05 10 5 3.2D-02 -4.263398D+07 7.8D+04 1.9D+03 11 3 6.6D-01 -4.263430D+07 8.0D+04 1.1D+04 12 7 3.6D-01 -4.263435D+07 7.4D+04 8.8D+04 13 2 4.2D-02 -4.263437D+07 7.6D+04 3.8D+04 Exit from NP problem after 13 major iterations, 79 minor iterations. Varbl State Value Lower Bound Upper Bound Lagr Mult Residual V 1 FR -2.546544E-17 None None 0.000 1.0000E+20 V 2 FR 3.641101E-05 None None 0.000 1.0000E+20 V 3 FR -4.185431E-02 None None 0.000 1.0000E+20 V 4 FR 2.313017E-02 None None 0.000 1.0000E+20 V 5 FR 6.050562E-02 None None 0.000 1.0000E+20 V 6 FR 0.00000 None None 0.000 1.0000E+20 V 7 FR 1.371040E-02 None None 0.000 1.0000E+20 V 8 FR 2.00000 None None 0.000 1.0000E+20 V 9 FR 0.944472 None None 0.000 1.0000E+20 V 10 FR -1.00000 None None 0.000 1.0000E+20 L Con State Value Lower Bound Upper Bound Lagr Mult Residual L 1 FR 2.313017E-02 0.00000 1.00000 0.000 2.3130E-02 L 2 FR 6.050562E-02 0.00000 1.00000 0.000 6.0506E-02 L 3 FR -8.363579E-02 -1.00000 0.00000 0.000 8.3636E-02 L 4 UL 2.220446E-16 -1.00000 0.00000 -2.0733E+07 -2.2204E-16 L 5 FR -2.220446E-16 0.00000 1.00000 0.000 -2.2204E-16 L 6 FR 1.00000 0.00000 1.00000 0.000 0.000 L 7 LL -2.546544E-17 0.00000 1.00000 2.0412E+07 -2.5465E-17 L 8 LL -2.081668E-16 0.00000 1.00000 2.0423E+07 -2.0817E-16 L 9 LL 0.00000 0.00000 1.00000 1.9857E+07 0.000 L 10 LL -1.00000 -1.00000 0.00000 2.0410E+07 1.1102E-16 L 11 FR 1.371040E-02 0.00000 1.00000 0.000 1.3710E-02 L 12 FR 3.641101E-05 0.00000 1.00000 0.000 3.6411E-05 L 13 LL -1.00000 -1.00000 0.00000 4.2136E+07 9.9920E-16 L 14 FR 0.986253 0.00000 1.00000 0.000 1.3747E-02 L 15 FR 2.089074E-02 0.00000 1.00000 0.000 2.0891E-02 L 16 FR -2.089074E-02 -1.00000 0.00000 0.000 2.0891E-02 L 17 FR 0.00000 0.00000 1.00000 0.000 0.000 L 18 FR 0.00000 -1.00000 0.00000 0.000 0.000 Exit E04UCF - Optimal solution found. Final objective value = -0.4263437E+08