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feat(control): dynamic prototype, penalty_iteration, error while disabling surrogate fixed
This commit is contained in:
rastogi
parent
f33dcb99f1
commit
2d5def9a7f
@ -28,12 +28,12 @@ if (POET_PREPROCESS_BENCHS)
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endif()
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# as tug will also pull in doctest as a dependency
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set(TUG_ENABLE_TESTING ON CACHE BOOL "" FORCE)
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set(TUG_ENABLE_TESTING OFF CACHE BOOL "" FORCE)
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add_subdirectory(ext/tug EXCLUDE_FROM_ALL)
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add_subdirectory(ext/iphreeqc EXCLUDE_FROM_ALL)
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option(POET_ENABLE_TESTING "Build test suite for POET" ON)
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option(POET_ENABLE_TESTING "Build test suite for POET" OFF)
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if (POET_ENABLE_TESTING)
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add_subdirectory(test)
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@ -1,13 +1,17 @@
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iterations <- 500
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dt <- 200
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dt <- 100
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control_iteration <- 20
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species_epsilon <- c(.0, 1e-12, 1e-1, 1e-1, 1e-2, 1e-2, 1e+1, 1e+1, 1e-3, 0, 1e-1, .0, 1e-1, .0)
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species_epsilon <- c(.0, 1e-12, 1e-1, 1e-1, 1e-2, 1e-2, 1e+1, 1e+1, 1e-3, 0, 1e-1, .0, 0.12, .0)
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out_save <- seq(50, iterations, by = 50)
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penalty_iteration <- 40
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max_penalty_iteration <- 80
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list(
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timesteps = rep(dt, iterations),
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store_result = TRUE,
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out_save = out_save,
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control_iteration = control_iteration,
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species_epsilon = species_epsilon
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species_epsilon = species_epsilon,
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penalty_iteration = penalty_iteration,
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max_penalty_iteration = max_penalty_iteration
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)
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@ -1,121 +1,376 @@
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Iteration, Species, MAPE, RRSME
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20, ID, 0, 0
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20, H, 1.94487e-14, 3.25056e-16
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20, O, 0.0528344, 0.00055045
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20, Charge, 0.0232427, 0.000242925
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20, C, 0.000542246, 6.49017e-05
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20, Ca, 0.000542337, 6.48991e-05
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20, Cl, 6.90514, 0.172115
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20, Mg, 7.0869, 0.189878
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20, Calcite, 0.000326491, 3.92374e-05
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20, H, 1.41445e-14, 2.35911e-16
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20, O, 0.0553419, 0.000567653
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20, Charge, 0.0182496, 0.000187253
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20, C, 9.41889e-05, 1.47295e-05
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20, Ca, 9.42715e-05, 1.47294e-05
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20, Cl, 6.0345, 0.0869993
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20, Mg, 6.09838, 0.0882693
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20, Calcite, 5.63369e-05, 8.82505e-06
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20, Calcite_p1, 0, 0
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20, Dolomite, 9.272e-06, 1.12903e-05
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20, Dolomite, 4.13256e-09, 1.16886e-08
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20, Dolomite_p1, 0, 0
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20, O2g_eq, 0.138625, 0.00144473
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20, O2g_eq, 0.145118, 0.0014895
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20, O2g_si, 0, 0
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40, ID, 0, 0
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40, H, 2.29246e-14, 4.17955e-16
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40, O, 0.0517847, 0.000555411
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40, Charge, 0.0217087, 0.000234719
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40, C, 0.000766768, 6.66735e-05
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40, Ca, 0.000766918, 6.66873e-05
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40, Cl, 3.46466, 0.11824
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40, Mg, 3.68055, 0.142815
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40, Calcite, 0.000466118, 4.0896e-05
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40, H, 3.88971e-14, 4.87626e-16
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40, O, 0.056556, 0.000586363
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40, Charge, 0.0175789, 0.000183408
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40, C, 0.000325979, 3.81983e-05
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40, Ca, 0.000326053, 3.8197e-05
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40, Cl, 3.04641, 0.058268
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40, Mg, 3.09965, 0.0603568
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40, Calcite, 0.000196233, 2.30896e-05
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40, Calcite_p1, 0, 0
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40, Dolomite, 0.00272905, 0.00235336
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40, Dolomite, 8.48003e-06, 8.69316e-06
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40, Dolomite_p1, 0, 0
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40, O2g_eq, 0.136023, 0.00145884
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40, O2g_eq, 0.148463, 0.00154008
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40, O2g_si, 0, 0
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60, ID, 0, 0
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60, H, 2.74641e-14, 4.7951e-16
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60, O, 0.0486809, 0.000533318
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60, Charge, 0.0201468, 0.000226065
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60, C, 0.000891453, 6.49626e-05
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60, Ca, 0.000892045, 6.503e-05
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60, Cl, 2.08155, 0.0862112
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60, Mg, 2.24499, 0.111759
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60, Calcite, 0.000548445, 4.07929e-05
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60, H, 0, 0
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60, O, 0, 0
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60, Charge, 0, 0
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60, C, 0, 0
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60, Ca, 0, 0
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60, Cl, 0, 0
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60, Mg, 0, 0
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60, Calcite, 0, 0
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60, Calcite_p1, 0, 0
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60, Dolomite, 0.00501748, 0.00466921
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60, Dolomite, 0, 0
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60, Dolomite_p1, 0, 0
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60, O2g_eq, 0.127509, 0.00139778
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60, O2g_eq, 0, 0
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60, O2g_si, 0, 0
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80, ID, 0, 0
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80, H, 4.18117e-14, 6.18699e-16
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80, O, 0.0456397, 0.000511564
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80, Charge, 0.0186293, 0.000217503
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80, C, 0.000902581, 5.51404e-05
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80, Ca, 0.000903436, 5.52293e-05
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80, Cl, 1.46119, 0.0709428
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80, Mg, 1.59876, 0.0991399
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80, Calcite, 0.000555002, 3.46365e-05
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80, H, 0, 0
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80, O, 0, 0
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80, Charge, 0, 0
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80, C, 0, 0
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80, Ca, 0, 0
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80, Cl, 0, 0
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80, Mg, 0, 0
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80, Calcite, 0, 0
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80, Calcite_p1, 0, 0
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80, Dolomite, 0.00232338, 0.000711624
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80, Dolomite, 0, 0
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80, Dolomite_p1, 0, 0
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80, O2g_eq, 0.119228, 0.00133794
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80, O2g_eq, 0, 0
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80, O2g_si, 0, 0
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100, ID, 0, 0
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100, H, 3.65551e-14, 5.95887e-16
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100, O, 0.0427519, 0.000490935
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100, Charge, 0.0170819, 0.000208342
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100, C, 0.000953495, 5.18182e-05
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100, Ca, 0.000954977, 5.19698e-05
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100, Cl, 1.08948, 0.0602524
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100, Mg, 1.21451, 0.0897367
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100, Calcite, 0.000592906, 3.32084e-05
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100, H, 2.52054e-14, 4.54572e-16
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100, O, 0.0499718, 0.000533381
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100, Charge, 0.0157197, 0.000172845
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100, C, 0.000521522, 3.64097e-05
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100, Ca, 0.000521537, 3.64034e-05
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100, Cl, 1.79663, 0.0479452
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100, Mg, 1.89434, 0.050751
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100, Calcite, 0.000314689, 2.20679e-05
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100, Calcite_p1, 0, 0
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100, Dolomite, 0.0030105, 0.000956423
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100, Dolomite, 0.000611171, 0.000558382
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100, Dolomite_p1, 0, 0
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100, O2g_eq, 0.111391, 0.00128101
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100, O2g_eq, 0.130299, 0.0013932
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100, O2g_si, 0, 0
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120, ID, 0, 0
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120, H, 3.50261e-14, 6.3007e-16
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120, O, 0.0402783, 0.000474447
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120, Charge, 0.0155968, 0.000199072
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120, C, 0.00106331, 5.708e-05
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120, Ca, 0.00106484, 5.72572e-05
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120, Cl, 0.840976, 0.0523175
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120, Mg, 0.960964, 0.0851715
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120, Calcite, 0.000662119, 3.72101e-05
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120, H, 2.45742e-14, 4.82097e-16
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120, O, 0.0511434, 0.000552565
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120, Charge, 0.0151224, 0.000169403
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120, C, 0.00055729, 3.68181e-05
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120, Ca, 0.000557564, 3.68497e-05
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120, Cl, 1.26629, 0.0384465
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120, Mg, 1.33603, 0.0414565
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120, Calcite, 0.000344085, 2.33848e-05
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120, Calcite_p1, 0, 0
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120, Dolomite, 0.0267412, 0.0144917
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120, Dolomite, 0.00565502, 0.0070734
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120, Dolomite_p1, 0, 0
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120, O2g_eq, 0.104765, 0.00123562
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120, O2g_eq, 0.133569, 0.00144506
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120, O2g_si, 0, 0
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140, ID, 0, 0
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140, H, 4.14022e-14, 6.85264e-16
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140, O, 0.0379425, 0.000458507
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140, Charge, 0.0143378, 0.000190886
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140, C, 0.00103922, 5.03887e-05
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140, Ca, 0.00104158, 5.0623e-05
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140, Cl, 0.663446, 0.046461
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140, Mg, 0.776981, 0.0796788
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140, Calcite, 0.000647302, 3.25312e-05
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140, H, 0, 0
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140, O, 0, 0
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140, Charge, 0, 0
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140, C, 0, 0
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140, Ca, 0, 0
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140, Cl, 0, 0
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140, Mg, 0, 0
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140, Calcite, 0, 0
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140, Calcite_p1, 0, 0
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140, Dolomite, 0.0240131, 0.0137403
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140, Dolomite, 0, 0
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140, Dolomite_p1, 0, 0
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140, O2g_eq, 0.0985411, 0.00119191
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140, O2g_eq, 0, 0
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140, O2g_si, 0, 0
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160, ID, 0, 0
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160, H, 3.71028e-14, 6.90547e-16
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160, O, 0.0354217, 0.000441511
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160, Charge, 0.0132313, 0.000183316
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160, C, 0.00108786, 5.02857e-05
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160, Ca, 0.00109084, 5.06277e-05
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160, Cl, 0.525261, 0.0418011
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160, Mg, 0.638517, 0.0765625
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160, Calcite, 0.000679934, 3.27925e-05
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160, H, 0, 0
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160, O, 0, 0
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160, Charge, 0, 0
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160, C, 0, 0
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160, Ca, 0, 0
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160, Cl, 0, 0
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160, Mg, 0, 0
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160, Calcite, 0, 0
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160, Calcite_p1, 0, 0
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160, Dolomite, 0.0124243, 0.00966693
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160, Dolomite, 0, 0
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160, Dolomite_p1, 0, 0
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160, O2g_eq, 0.091823, 0.00114555
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160, O2g_eq, 0, 0
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160, O2g_si, 0, 0
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180, ID, 0, 0
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180, H, 4.21264e-14, 6.43691e-16
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180, O, 0.0451131, 0.000507232
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180, Charge, 0.0133282, 0.000158663
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180, C, 0.000689696, 3.58042e-05
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180, Ca, 0.000689595, 3.57904e-05
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180, Cl, 0.920225, 0.0359217
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180, Mg, 0.986528, 0.0403564
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180, Calcite, 0.000420255, 2.2125e-05
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180, Calcite_p1, 0, 0
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180, Dolomite, 0.0148754, 0.00869066
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180, Dolomite_p1, 0, 0
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180, O2g_eq, 0.117169, 0.00131922
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180, O2g_si, 0, 0
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200, ID, 0, 0
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200, H, 3.09518e-14, 5.96967e-16
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200, O, 0.0460042, 0.000524667
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200, Charge, 0.0127803, 0.000155455
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200, C, 0.000624372, 3.16039e-05
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200, Ca, 0.000624798, 3.16382e-05
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200, Cl, 0.711112, 0.0301469
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200, Mg, 0.766742, 0.0335527
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200, Calcite, 0.000388114, 2.04472e-05
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200, Calcite_p1, 0, 0
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200, Dolomite, 0.00418652, 0.00305248
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200, Dolomite_p1, 0, 0
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200, O2g_eq, 0.119619, 0.00136598
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200, O2g_si, 0, 0
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220, ID, 0, 0
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220, H, 3.38653e-14, 6.03322e-16
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220, O, 0.0448395, 0.000519484
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220, Charge, 0.0122, 0.000151847
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220, C, 0.000602414, 3.03438e-05
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220, Ca, 0.000602795, 3.0383e-05
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220, Cl, 0.57974, 0.026681
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220, Mg, 0.630163, 0.0304884
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220, Calcite, 0.000371929, 1.92166e-05
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220, Calcite_p1, 0, 0
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220, Dolomite, 0.027979, 0.0156879
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220, Dolomite_p1, 0, 0
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220, O2g_eq, 0.116433, 0.00135073
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220, O2g_si, 0, 0
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240, ID, 0, 0
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240, H, 4.01928e-14, 6.63038e-16
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240, O, 0.0437732, 0.00051452
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240, Charge, 0.0116593, 0.000148471
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240, C, 0.000622541, 3.15577e-05
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240, Ca, 0.000623301, 3.1637e-05
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240, Cl, 0.486397, 0.0242533
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240, Mg, 0.532535, 0.0278207
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240, Calcite, 0.000388216, 2.05683e-05
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240, Calcite_p1, 0, 0
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240, Dolomite, 0.0318458, 0.0173306
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240, Dolomite_p1, 0, 0
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240, O2g_eq, 0.113552, 0.00133602
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240, O2g_si, 0, 0
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260, ID, 0, 0
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260, H, 3.49348e-14, 6.34319e-16
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260, O, 0.0426325, 0.000508416
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260, Charge, 0.011194, 0.000145704
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260, C, 0.000560489, 2.68571e-05
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260, Ca, 0.000561128, 2.69044e-05
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260, Cl, 0.416622, 0.023058
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260, Mg, 0.459164, 0.026071
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260, Calcite, 0.000347105, 1.71572e-05
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260, Calcite_p1, 0, 0
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260, Dolomite, 0.0209413, 0.012389
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260, Dolomite_p1, 0, 0
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260, O2g_eq, 0.110485, 0.00131874
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260, O2g_si, 0, 0
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280, ID, 0, 0
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280, H, 3.60996e-14, 6.6192e-16
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280, O, 0.0413622, 0.000500831
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280, Charge, 0.0107693, 0.000142997
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280, C, 0.000577356, 2.6604e-05
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280, Ca, 0.000578462, 2.6685e-05
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280, Cl, 0.360292, 0.0214539
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280, Mg, 0.401591, 0.0253684
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280, Calcite, 0.000364216, 1.81639e-05
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280, Calcite_p1, 0, 0
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280, Dolomite, 0.0221824, 0.0141538
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280, Dolomite_p1, 0, 0
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280, O2g_eq, 0.107019, 0.00129705
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280, O2g_si, 0, 0
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300, ID, 0, 0
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300, H, 3.56994e-14, 6.52017e-16
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300, O, 0.0399861, 0.000491851
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300, Charge, 0.0103422, 0.000140284
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300, C, 0.000604904, 2.83669e-05
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300, Ca, 0.000605783, 2.84371e-05
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300, Cl, 0.313853, 0.0201635
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300, Mg, 0.353232, 0.0235415
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300, Calcite, 0.000386924, 2.08332e-05
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300, Calcite_p1, 0, 0
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300, Dolomite, 0.0226333, 0.0141679
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300, Dolomite_p1, 0, 0
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300, O2g_eq, 0.103311, 0.00127183
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300, O2g_si, 0, 0
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320, ID, 0, 0
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320, H, 3.40886e-14, 6.62584e-16
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320, O, 0.0387726, 0.000484965
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320, Charge, 0.00993204, 0.000137438
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320, C, 0.000604705, 2.84329e-05
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320, Ca, 0.000605988, 2.85747e-05
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320, Cl, 0.274623, 0.0191566
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320, Mg, 0.313395, 0.0223996
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320, Calcite, 0.000376625, 1.86093e-05
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320, Calcite_p1, 0, 0
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320, Dolomite, 0.0134875, 0.0101849
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320, Dolomite_p1, 0, 0
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320, O2g_eq, 0.100005, 0.00125156
|
||||
320, O2g_si, 0, 0
|
||||
|
||||
340, ID, 0, 0
|
||||
340, H, 3.70111e-14, 6.80177e-16
|
||||
340, O, 0.0376343, 0.00047866
|
||||
340, Charge, 0.00956443, 0.000134982
|
||||
340, C, 0.000601699, 2.71597e-05
|
||||
340, Ca, 0.000603066, 2.72861e-05
|
||||
340, Cl, 0.238462, 0.018479
|
||||
340, Mg, 0.280258, 0.0219955
|
||||
340, Calcite, 0.000385246, 1.94428e-05
|
||||
340, Calcite_p1, 0, 0
|
||||
340, Dolomite, 0.0318, 0.0161574
|
||||
340, Dolomite_p1, 0, 0
|
||||
340, O2g_eq, 0.0969628, 0.00123385
|
||||
340, O2g_si, 0, 0
|
||||
|
||||
360, ID, 0, 0
|
||||
360, H, 3.60799e-14, 6.63514e-16
|
||||
360, O, 0.0365169, 0.000472697
|
||||
360, Charge, 0.00920089, 0.000132444
|
||||
360, C, 0.000589346, 2.56004e-05
|
||||
360, Ca, 0.000590568, 2.56932e-05
|
||||
360, Cl, 0.193642, 0.0171236
|
||||
360, Mg, 0.248585, 0.0212179
|
||||
360, Calcite, 0.000377203, 1.84335e-05
|
||||
360, Calcite_p1, 0, 0
|
||||
360, Dolomite, 0.0218774, 0.0141493
|
||||
360, Dolomite_p1, 0, 0
|
||||
360, O2g_eq, 0.0939613, 0.00121694
|
||||
360, O2g_si, 0, 0
|
||||
|
||||
380, ID, 0, 0
|
||||
380, H, 3.55796e-14, 6.8648e-16
|
||||
380, O, 0.0354729, 0.000466356
|
||||
380, Charge, 0.0088669, 0.000130032
|
||||
380, C, 0.00063697, 2.96211e-05
|
||||
380, Ca, 0.000638083, 2.97091e-05
|
||||
380, Cl, 0.140909, 0.0150374
|
||||
380, Mg, 0.216507, 0.0225187
|
||||
380, Calcite, 0.000406558, 2.07877e-05
|
||||
380, Calcite_p1, 0, 0
|
||||
380, Dolomite, 0.047141, 0.021219
|
||||
380, Dolomite_p1, 0, 0
|
||||
380, O2g_eq, 0.0911081, 0.00119849
|
||||
380, O2g_si, 0, 0
|
||||
|
||||
400, ID, 0, 0
|
||||
400, H, 3.6232e-14, 7.02432e-16
|
||||
400, O, 0.0345795, 0.0004623
|
||||
400, Charge, 0.00852493, 0.000127455
|
||||
400, C, 0.000603678, 2.58639e-05
|
||||
400, Ca, 0.000605169, 2.59922e-05
|
||||
400, Cl, 0.10123, 0.014209
|
||||
400, Mg, 0.175309, 0.020241
|
||||
400, Calcite, 0.000381044, 1.74899e-05
|
||||
400, Calcite_p1, 0, 0
|
||||
400, Dolomite, 0.0368562, 0.018712
|
||||
400, Dolomite_p1, 0, 0
|
||||
400, O2g_eq, 0.0887188, 0.0011865
|
||||
400, O2g_si, 0, 0
|
||||
|
||||
420, ID, 0, 0
|
||||
420, H, 3.83382e-14, 6.68783e-16
|
||||
420, O, 0.0335484, 0.000455385
|
||||
420, Charge, 0.00817171, 0.000124832
|
||||
420, C, 0.000603529, 2.54134e-05
|
||||
420, Ca, 0.000605869, 2.56068e-05
|
||||
420, Cl, 0.067397, 0.0126332
|
||||
420, Mg, 0.132868, 0.0190658
|
||||
420, Calcite, 0.000382948, 1.74596e-05
|
||||
420, Calcite_p1, 0, 0
|
||||
420, Dolomite, 0.0226142, 0.0141506
|
||||
420, Dolomite_p1, 0, 0
|
||||
420, O2g_eq, 0.0859497, 0.00116688
|
||||
420, O2g_si, 0, 0
|
||||
|
||||
440, ID, 0, 0
|
||||
440, H, 3.67274e-14, 6.59047e-16
|
||||
440, O, 0.0326937, 0.000451041
|
||||
440, Charge, 0.0078609, 0.000122411
|
||||
440, C, 0.0006084, 2.44131e-05
|
||||
440, Ca, 0.000610448, 2.45656e-05
|
||||
440, Cl, 0.03675, 0.0100792
|
||||
440, Mg, 0.0979748, 0.0177069
|
||||
440, Calcite, 0.000390181, 1.72703e-05
|
||||
440, Calcite_p1, 0, 0
|
||||
440, Dolomite, 0.0246411, 0.0142021
|
||||
440, Dolomite_p1, 0, 0
|
||||
440, O2g_eq, 0.0836881, 0.0011549
|
||||
440, O2g_si, 0, 0
|
||||
|
||||
460, ID, 0, 0
|
||||
460, H, 3.51522e-14, 6.28657e-16
|
||||
460, O, 0.0317917, 0.000445065
|
||||
460, Charge, 0.00753923, 0.000119952
|
||||
460, C, 0.000598644, 2.42974e-05
|
||||
460, Ca, 0.000600299, 2.44311e-05
|
||||
460, Cl, 0.0143973, 0.00637336
|
||||
460, Mg, 0.0677921, 0.0158669
|
||||
460, Calcite, 0.0003902, 1.9257e-05
|
||||
460, Calcite_p1, 0, 0
|
||||
460, Dolomite, 0.0128875, 0.0100163
|
||||
460, Dolomite_p1, 0, 0
|
||||
460, O2g_eq, 0.0812584, 0.00113768
|
||||
460, O2g_si, 0, 0
|
||||
|
||||
480, ID, 0, 0
|
||||
480, H, 3.58576e-14, 6.04745e-16
|
||||
480, O, 0.0309867, 0.000441054
|
||||
480, Charge, 0.00722698, 0.000117467
|
||||
480, C, 0.000607134, 2.35285e-05
|
||||
480, Ca, 0.00060929, 2.37256e-05
|
||||
480, Cl, 0.00374346, 0.00196574
|
||||
480, Mg, 0.04042, 0.0134234
|
||||
480, Calcite, 0.000388391, 1.64682e-05
|
||||
480, Calcite_p1, 0, 0
|
||||
480, Dolomite, 0.00312571, 0.000640164
|
||||
480, Dolomite_p1, 0, 0
|
||||
480, O2g_eq, 0.0791289, 0.00112619
|
||||
480, O2g_si, 0, 0
|
||||
|
||||
500, ID, 0, 0
|
||||
500, H, 3.64637e-14, 6.36339e-16
|
||||
500, O, 0.0302192, 0.000436687
|
||||
500, Charge, 0.00693139, 0.000114918
|
||||
500, C, 0.000609576, 2.32842e-05
|
||||
500, Ca, 0.000612185, 2.34914e-05
|
||||
500, Cl, 0.000865377, 0.000464931
|
||||
500, Mg, 0.017595, 0.00765859
|
||||
500, Calcite, 0.000387095, 1.60962e-05
|
||||
500, Calcite_p1, 0, 0
|
||||
500, Dolomite, 0.00378159, 0.000835746
|
||||
500, Dolomite_p1, 0, 0
|
||||
500, O2g_eq, 0.0770378, 0.00111302
|
||||
500, O2g_si, 0, 0
|
||||
|
||||
|
||||
Binary file not shown.
Binary file not shown.
@ -299,6 +299,7 @@ namespace poet
|
||||
CHEM_DHT_SIGNIF_VEC,
|
||||
CHEM_DHT_SNAPS,
|
||||
CHEM_DHT_READ_FILE,
|
||||
CHEM_INTERP,
|
||||
CHEM_IP_ENABLE,
|
||||
CHEM_IP_MIN_ENTRIES,
|
||||
CHEM_IP_SIGNIF_VEC,
|
||||
|
||||
@ -448,6 +448,19 @@ void poet::ChemistryModule::MasterRunParallel(double dt) {
|
||||
ftype = CHEM_WORK_LOOP;
|
||||
PropagateFunctionType(ftype);
|
||||
|
||||
ftype = CHEM_INTERP;
|
||||
PropagateFunctionType(ftype);
|
||||
|
||||
if(this->runtime_params->rollback_simulation){
|
||||
this->interp_enabled = false;
|
||||
int interp_flag = 0;
|
||||
ChemBCast(&interp_flag, 1, MPI_INT);
|
||||
} else {
|
||||
this->interp_enabled = true;
|
||||
int interp_flag = 1;
|
||||
ChemBCast(&interp_flag, 1, MPI_INT);
|
||||
}
|
||||
|
||||
MPI_Barrier(this->group_comm);
|
||||
|
||||
static uint32_t iteration = 0;
|
||||
|
||||
@ -34,105 +34,112 @@ namespace poet
|
||||
return ret_str;
|
||||
}
|
||||
|
||||
void poet::ChemistryModule::WorkerLoop()
|
||||
{
|
||||
struct worker_s timings;
|
||||
|
||||
// HACK: defining the worker iteration count here, which will increment after
|
||||
// each CHEM_ITER_END message
|
||||
uint32_t iteration = 1;
|
||||
bool loop = true;
|
||||
|
||||
while (loop)
|
||||
void poet::ChemistryModule::WorkerLoop()
|
||||
{
|
||||
int func_type;
|
||||
PropagateFunctionType(func_type);
|
||||
struct worker_s timings;
|
||||
|
||||
switch (func_type)
|
||||
// HACK: defining the worker iteration count here, which will increment after
|
||||
// each CHEM_ITER_END message
|
||||
uint32_t iteration = 1;
|
||||
bool loop = true;
|
||||
|
||||
while (loop)
|
||||
{
|
||||
case CHEM_FIELD_INIT:
|
||||
{
|
||||
ChemBCast(&this->prop_count, 1, MPI_UINT32_T);
|
||||
if (this->ai_surrogate_enabled)
|
||||
int func_type;
|
||||
PropagateFunctionType(func_type);
|
||||
|
||||
switch (func_type)
|
||||
{
|
||||
this->ai_surrogate_validity_vector.resize(
|
||||
this->n_cells); // resize statt reserve?
|
||||
}
|
||||
break;
|
||||
}
|
||||
case CHEM_AI_BCAST_VALIDITY:
|
||||
{
|
||||
// Receive the index vector of valid ai surrogate predictions
|
||||
MPI_Bcast(&this->ai_surrogate_validity_vector.front(), this->n_cells,
|
||||
MPI_INT, 0, this->group_comm);
|
||||
break;
|
||||
}
|
||||
case CHEM_WORK_LOOP:
|
||||
{
|
||||
WorkerProcessPkgs(timings, iteration);
|
||||
break;
|
||||
}
|
||||
case CHEM_PERF:
|
||||
{
|
||||
int type;
|
||||
ChemBCast(&type, 1, MPI_INT);
|
||||
if (type < WORKER_DHT_HITS)
|
||||
case CHEM_FIELD_INIT:
|
||||
{
|
||||
WorkerPerfToMaster(type, timings);
|
||||
ChemBCast(&this->prop_count, 1, MPI_UINT32_T);
|
||||
if (this->ai_surrogate_enabled)
|
||||
{
|
||||
this->ai_surrogate_validity_vector.resize(
|
||||
this->n_cells); // resize statt reserve?
|
||||
}
|
||||
break;
|
||||
}
|
||||
WorkerMetricsToMaster(type);
|
||||
break;
|
||||
}
|
||||
case CHEM_BREAK_MAIN_LOOP:
|
||||
{
|
||||
WorkerPostSim(iteration);
|
||||
loop = false;
|
||||
break;
|
||||
}
|
||||
default:
|
||||
{
|
||||
throw std::runtime_error("Worker received unknown tag from master.");
|
||||
}
|
||||
case CHEM_AI_BCAST_VALIDITY:
|
||||
{
|
||||
// Receive the index vector of valid ai surrogate predictions
|
||||
MPI_Bcast(&this->ai_surrogate_validity_vector.front(), this->n_cells,
|
||||
MPI_INT, 0, this->group_comm);
|
||||
break;
|
||||
}
|
||||
case CHEM_INTERP:
|
||||
{
|
||||
int interp_flag;
|
||||
ChemBCast(&interp_flag, 1, MPI_INT);
|
||||
this->interp_enabled = (interp_flag == 1);
|
||||
break;
|
||||
}
|
||||
case CHEM_WORK_LOOP:
|
||||
{
|
||||
WorkerProcessPkgs(timings, iteration);
|
||||
break;
|
||||
}
|
||||
case CHEM_PERF:
|
||||
{
|
||||
int type;
|
||||
ChemBCast(&type, 1, MPI_INT);
|
||||
if (type < WORKER_DHT_HITS)
|
||||
{
|
||||
WorkerPerfToMaster(type, timings);
|
||||
break;
|
||||
}
|
||||
WorkerMetricsToMaster(type);
|
||||
break;
|
||||
}
|
||||
case CHEM_BREAK_MAIN_LOOP:
|
||||
{
|
||||
WorkerPostSim(iteration);
|
||||
loop = false;
|
||||
break;
|
||||
}
|
||||
default:
|
||||
{
|
||||
throw std::runtime_error("Worker received unknown tag from master.");
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
void poet::ChemistryModule::WorkerProcessPkgs(struct worker_s &timings,
|
||||
uint32_t &iteration)
|
||||
{
|
||||
MPI_Status probe_status;
|
||||
bool loop = true;
|
||||
|
||||
MPI_Barrier(this->group_comm);
|
||||
|
||||
while (loop)
|
||||
void poet::ChemistryModule::WorkerProcessPkgs(struct worker_s &timings,
|
||||
uint32_t &iteration)
|
||||
{
|
||||
double idle_a = MPI_Wtime();
|
||||
MPI_Probe(0, MPI_ANY_TAG, this->group_comm, &probe_status);
|
||||
double idle_b = MPI_Wtime();
|
||||
MPI_Status probe_status;
|
||||
bool loop = true;
|
||||
|
||||
switch (probe_status.MPI_TAG)
|
||||
{
|
||||
case LOOP_WORK:
|
||||
{
|
||||
timings.idle_t += idle_b - idle_a;
|
||||
int count;
|
||||
MPI_Get_count(&probe_status, MPI_DOUBLE, &count);
|
||||
MPI_Barrier(this->group_comm);
|
||||
|
||||
WorkerDoWork(probe_status, count, timings);
|
||||
break;
|
||||
}
|
||||
case LOOP_END:
|
||||
while (loop)
|
||||
{
|
||||
WorkerPostIter(probe_status, iteration);
|
||||
iteration++;
|
||||
loop = false;
|
||||
break;
|
||||
}
|
||||
double idle_a = MPI_Wtime();
|
||||
MPI_Probe(0, MPI_ANY_TAG, this->group_comm, &probe_status);
|
||||
double idle_b = MPI_Wtime();
|
||||
|
||||
switch (probe_status.MPI_TAG)
|
||||
{
|
||||
case LOOP_WORK:
|
||||
{
|
||||
timings.idle_t += idle_b - idle_a;
|
||||
int count;
|
||||
MPI_Get_count(&probe_status, MPI_DOUBLE, &count);
|
||||
|
||||
WorkerDoWork(probe_status, count, timings);
|
||||
break;
|
||||
}
|
||||
case LOOP_END:
|
||||
{
|
||||
WorkerPostIter(probe_status, iteration);
|
||||
iteration++;
|
||||
loop = false;
|
||||
break;
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
void poet::ChemistryModule::WorkerDoWork(MPI_Status &probe_status,
|
||||
int double_count,
|
||||
@ -254,7 +261,7 @@ namespace poet
|
||||
|
||||
for (std::size_t wp_i = 0; wp_i < s_curr_wp.size; wp_i++)
|
||||
{
|
||||
if (!s_curr_wp.mapping[wp_i] == CHEM_PQC) // only copy if surrogate was used
|
||||
if (s_curr_wp.mapping[wp_i] != CHEM_PQC) // only copy if surrogate was used
|
||||
{
|
||||
std::copy(s_curr_wp.output[wp_i].begin(), s_curr_wp.output[wp_i].end(),
|
||||
mpi_buffer.begin() + sur_wp_offset + this->prop_count * wp_i);
|
||||
|
||||
87
src/poet.cpp
87
src/poet.cpp
@ -270,6 +270,10 @@ int parseInitValues(int argc, char **argv, RuntimeParameters ¶ms)
|
||||
Rcpp::as<uint32_t>(global_rt_setup->operator[]("control_iteration"));
|
||||
params.species_epsilon =
|
||||
Rcpp::as<std::vector<double>>(global_rt_setup->operator[]("species_epsilon"));
|
||||
params.penalty_iteration =
|
||||
Rcpp::as<uint32_t>(global_rt_setup->operator[]("penalty_iteration"));
|
||||
params.max_penalty_iteration =
|
||||
Rcpp::as<uint32_t>(global_rt_setup->operator[]("max_penalty_iteration"));
|
||||
}
|
||||
catch (const std::exception &e)
|
||||
{
|
||||
@ -302,31 +306,50 @@ void call_master_iter_end(RInside &R, const Field &trans, const Field &chem)
|
||||
|
||||
bool checkAndRollback(ChemistryModule &chem, RuntimeParameters ¶ms, uint32_t &iter)
|
||||
{
|
||||
for (uint32_t i = 0; i < chem.error_stats_history.size(); i++)
|
||||
const std::vector<double> &latest_mape = chem.error_stats_history.back().mape;
|
||||
|
||||
for (uint32_t j = 0; j < params.species_epsilon.size(); j++)
|
||||
{
|
||||
if (iter == chem.error_stats_history[i].iteration)
|
||||
if (params.species_epsilon[j] < latest_mape[j] && latest_mape[j] != 0)
|
||||
{
|
||||
for (uint32_t j = 0; j < params.species_epsilon.size(); j++)
|
||||
{
|
||||
if (params.species_epsilon[j] < chem.error_stats_history[i].mape[j] && chem.error_stats_history[i].mape[j] != 0 && chem.control_iteration_counter > 1)
|
||||
{
|
||||
uint32_t rollback_iter = iter - params.control_iteration;
|
||||
uint32_t rollback_iter = iter - (iter % params.control_iteration);
|
||||
|
||||
std::cout << chem.getField().GetProps()[j] << " with a MAPE value of " << chem.error_stats_history[i].mape[j] << " exceeds epsilon of "
|
||||
<< params.species_epsilon[j] << "! " << std::endl;
|
||||
std::cout << chem.getField().GetProps()[j] << " with a MAPE value of " << latest_mape[j] << " exceeds epsilon of "
|
||||
<< params.species_epsilon[j] << "! " << std::endl;
|
||||
|
||||
Checkpoint_s checkpoint_read{.field = chem.getField()};
|
||||
read_checkpoint("checkpoint" + std::to_string(rollback_iter) + ".hdf5", checkpoint_read);
|
||||
iter = checkpoint_read.iteration;
|
||||
Checkpoint_s checkpoint_read{.field = chem.getField()};
|
||||
read_checkpoint("checkpoint" + std::to_string(rollback_iter) + ".hdf5", checkpoint_read);
|
||||
iter = checkpoint_read.iteration;
|
||||
|
||||
chem.control_iteration_counter--;
|
||||
|
||||
return true;
|
||||
}
|
||||
}
|
||||
return true;
|
||||
}
|
||||
}
|
||||
MSG("All spezies are below their threshold values");
|
||||
return false;
|
||||
}
|
||||
|
||||
void updatePenaltyLogic(RuntimeParameters ¶ms, bool roolback_happend)
|
||||
{
|
||||
if (roolback_happend)
|
||||
{
|
||||
params.rollback_simulation = true;
|
||||
params.penalty_counter = params.penalty_iteration;
|
||||
std::cout << "Penalty counter reset to: " << params.penalty_counter << std::endl;
|
||||
MSG("Rollback! Penalty phase started for " + std::to_string(params.penalty_iteration) + " iterations.");
|
||||
}
|
||||
else
|
||||
{
|
||||
if (params.rollback_simulation && params.penalty_counter == 0)
|
||||
{
|
||||
params.rollback_simulation = false;
|
||||
MSG("Penalty phase ended. Interpolation re-enabled.");
|
||||
}
|
||||
else if (!params.rollback_simulation)
|
||||
{
|
||||
params.penalty_iteration = std::min(params.penalty_iteration *= 2, params.max_penalty_iteration);
|
||||
MSG("Stable surrogate phase detected. Penalty iteration doubled to " + std::to_string(params.penalty_iteration) + " iterations.");
|
||||
}
|
||||
}
|
||||
return false;
|
||||
}
|
||||
|
||||
static Rcpp::List RunMasterLoop(RInsidePOET &R, RuntimeParameters ¶ms,
|
||||
@ -344,13 +367,21 @@ static Rcpp::List RunMasterLoop(RInsidePOET &R, RuntimeParameters ¶ms,
|
||||
}
|
||||
R["TMP_PROPS"] = Rcpp::wrap(chem.getField().GetProps());
|
||||
|
||||
params.next_penalty_check = params.penalty_iteration;
|
||||
|
||||
/* SIMULATION LOOP */
|
||||
|
||||
double dSimTime{0};
|
||||
for (uint32_t iter = 1; iter < maxiter + 1; iter++)
|
||||
{
|
||||
// Penalty countdown
|
||||
if (params.rollback_simulation && params.penalty_counter > 0)
|
||||
{
|
||||
params.penalty_counter--;
|
||||
std::cout << "Penalty counter: " << params.penalty_counter << std::endl;
|
||||
}
|
||||
|
||||
params.control_iteration_active = (iter % params.control_iteration == 0 && iter != 0);
|
||||
params.control_iteration_active = (iter % params.control_iteration == 0 /* && iter != 0 */);
|
||||
|
||||
double start_t = MPI_Wtime();
|
||||
|
||||
@ -459,12 +490,6 @@ static Rcpp::List RunMasterLoop(RInsidePOET &R, RuntimeParameters ¶ms,
|
||||
// TODO: write checkpoint
|
||||
// checkpoint struct --> field and iteration
|
||||
|
||||
/*else if (iter == 2) {
|
||||
Checkpoint_s checkpoint_read{.field = chem.getField()};
|
||||
read_checkpoint("checkpoint1.hdf5", checkpoint_read);
|
||||
iter = checkpoint_read.iteration;
|
||||
}*/
|
||||
|
||||
diffusion.getField().update(chem.getField());
|
||||
|
||||
MSG("End of *coupling* iteration " + std::to_string(iter) + "/" +
|
||||
@ -473,12 +498,18 @@ static Rcpp::List RunMasterLoop(RInsidePOET &R, RuntimeParameters ¶ms,
|
||||
if (iter % params.control_iteration == 0)
|
||||
{
|
||||
writeStatsToCSV(chem.error_stats_history, chem.getField().GetProps(), "stats_overview");
|
||||
|
||||
write_checkpoint("checkpoint" + std::to_string(iter) + ".hdf5",
|
||||
{.field = chem.getField(), .iteration = iter});
|
||||
checkAndRollback(chem, params, iter);
|
||||
|
||||
}
|
||||
|
||||
if (iter == params.next_penalty_check)
|
||||
{
|
||||
bool roolback_happend = checkAndRollback(chem, params, iter);
|
||||
updatePenaltyLogic(params, roolback_happend);
|
||||
|
||||
params.next_penalty_check = iter + params.penalty_iteration;
|
||||
}
|
||||
|
||||
// MSG();
|
||||
} // END SIMULATION LOOP
|
||||
|
||||
|
||||
@ -52,6 +52,11 @@ struct RuntimeParameters {
|
||||
|
||||
bool print_progress = false;
|
||||
|
||||
std::uint32_t penalty_iteration = 0;
|
||||
std::uint32_t max_penalty_iteration = 0;
|
||||
std::uint32_t penalty_counter = 0;
|
||||
std::uint32_t next_penalty_check = 0;
|
||||
bool rollback_simulation = false;
|
||||
bool control_iteration_active = false;
|
||||
std::uint32_t control_iteration = 1;
|
||||
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user