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Anonymous committed 83395a2

Added mphase to default regression test suite.

  • Participants
  • Parent commits 93d0d09

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Files changed (9)

File regression_tests/Makefile

 	default/infiltrometer/infiltrometer.cfg \
 	default/condition/condition.cfg \
 	default/multicontinuum/multicontinuum.cfg \
+	default/mphase/mphase.cfg \
 	ngee/ngee.cfg \
 	shortcourse/1D_Calcite/calcite.cfg \
 	shortcourse/1D_variably_saturated_flow/vsat_flow.cfg \

File regression_tests/default/mphase/mphase-mas.dat

+ "Time [y]","2-dt_flow [y]","3-Global Water Mass in Water Phase [kmol]","4-Global CO2 Mass in Water Phase [kmol]","5-Trapped CO2 Mass in Water Phase [kmol]","6-Global Water Mass in Gas Phase [kmol]","7-Global CO2 Mass in Gas Phase [kmol]","8-Trapped CO2 Mass in Gas Phase [kmol]","9-top Water Mass [kmol]","10-top CO2 Mass [kmol]","11-top Water Mass [kmol/y]","12-top CO2 Mass [kmol/y]","13-src Water Mass [kmol]","14-src CO2 Mass [kmol]","15-src Water Mass [kmol/y]","16-src CO2 Mass [kmol/y]"
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+  1.00000000E-01  2.01501400E-03  1.59137570E+07  6.84034170E+04  0.00000000E+00  1.66725809E+02  8.54264735E+04  0.00000000E+00 -4.67265514E+05 -5.62735005E+05 -3.53817012E+05 -6.99322351E+06 -0.00000000E+00  7.16567674E+05 -0.00000000E+00  7.16567674E+06

File regression_tests/default/mphase/mphase.cfg

+[suites]
+standard = mphase
+flow = mphase
+#transport = 
+#geochemistry = 
+#parallel =
+
+[default-test-criteria]
+# default criteria for all tests, can be overwritten by specific tests
+time = 500 percent
+generic = 1.0e-12 absolute
+temperature = 1.0e-10 absolute
+discrete = 0 absolute
+pressure = 1.0e-12 absolute
+saturation = 1.0e-12 absolute
+
+[mphase]
+

File regression_tests/default/mphase/mphase.h5

Binary file added.

File regression_tests/default/mphase/mphase.in

+MODE MPHASE
+
+CO2_DATABASE /Users/lichtner/pflotran/bitbucket/pflotran-dev/database/co2data0.dat
+
+:=========================== regression =======================================
+REGRESSION
+  CELLS_PER_PROCESS 10
+END
+
+REFERENCE_TEMPERATURE 75.d0
+
+:=========================== discretization ===================================
+GRID
+TYPE structured
+ORIGIN 0.d0 0.d0 0.d0
+NXYZ 11 1 10
+BOUNDS
+0.d0 100.d0
+0.d0 100.d0
+0.d0 100.d0
+/
+END
+
+:=========================== solver options ===================================
+TIMESTEPPER
+  TS_ACCELERATION 8
+: MAX_STEPS 2
+  MAX_PRESSURE_CHANGE 5.e4
+  MAX_TEMPERATURE_CHANGE 5.d0
+  MAX_CONCENTRATION_CHANGE 0.01
+  MAX_SATURATION_CHANGE 0.005
+/
+
+NEWTON_SOLVER FLOW
+  ATOL 1D-12
+  RTOL 1D-10
+  STOL 1D-30
+  DTOL 1D15
+  ITOL 1D-9
+  MAXIT 25
+  MAXF 100
+END
+
+LINEAR_SOLVER FLOW
+: PC_TYPE NONE
+: PC_TYPE LU
+  PC_TYPE BJACOBI
+: pc_type eisenstat !*
+: SOLVER GMRES
+  SOLVER BCGS
+: SOLVER IBCGS
+: KSP_TYPE RICHARDSON
+: KSP_TYPE CHEBYSHEV !*
+: KSP_TYPE CG
+: KSP_TYPE BICG
+: KSP_TYPE GMRES
+: KSP_TYPE FGMRES
+: KSP_TYPE dgmres
+: KSP_TYPE gcr !*
+  KSP_TYPE BCGS
+: KSP_TYPE IBCGS
+: KSP_TYPE CGS !*
+: KSP_TYPE TFQMR !*
+: KSP_TYPE TCQMR !*
+: KSP_TYPE CR !*
+: KSP_TYPE LSQR !*
+: KSP_TYPE PREONLY
+/
+
+:=========================== times ============================================
+TIME
+FINAL_TIME 0.1e0 y
+INITIAL_TIMESTEP_SIZE 1.d-9 y
+MAXIMUM_TIMESTEP_SIZE 1.d-2 y
+MAXIMUM_TIMESTEP_SIZE 0.1d0 y at 0.1 y
+MAXIMUM_TIMESTEP_SIZE 0.25d0 y at 100. y
+MAXIMUM_TIMESTEP_SIZE 0.5d0 y at 200. y
+/
+
+:=========================== output options ===================================
+OUTPUT
+  PERIODIC_OBSERVATION TIMESTEP 1
+  PRINT_COLUMN_IDS
+  MASS_BALANCE
+  TIMES y 0.1 !10. 50. 60. 70. 80. 90. 100. \
+: 101. 102. 103. 104. 105. 106. 107. 108. 109. \
+: 110. 120. 130. 140. 150. 160. 170. 180. 190. 200. \
+: 225. 250. 275. 300. 325. 350. 400. 450. 500. 750. 1000.
+: FORMAT TECPLOT POINT
+  FORMAT TECPLOT BLOCK
+  FORMAT HDF5
+  VELOCITIES
+/
+
+:=========================== fluid properties =================================
+FLUID_PROPERTY 
+DIFFUSION_COEFFICIENT 1.d-9
+/
+
+:=========================== material properties ==============================
+MATERIAL_PROPERTY soil1
+ID 1
+POROSITY 0.3d0
+TORTUOSITY 5.d-1
+ROCK_DENSITY 2.65E3
+SPECIFIC_HEAT 1.E3
+THERMAL_CONDUCTIVITY_DRY 0.5
+THERMAL_CONDUCTIVITY_WET 0.5 
+SATURATION_FUNCTION sf1
+PERMEABILITY
+:PERM_X 9.869d-14
+:PERM_Y 9.869d-14
+:PERM_Z 9.869d-14
+PERM_X 2.d-12
+PERM_Y 2.d-12
+PERM_Z 2.d-12
+/
+/
+:=========================== saturation functions =============================
+SATURATION_FUNCTION sf1
+SATURATION_FUNCTION_TYPE VAN_GENUCHTEN
+:RESIDUAL_SATURATION 0.1
+RESIDUAL_SATURATION LIQUID_PHASE 0.1
+RESIDUAL_SATURATION GAS_PHASE 0.0
+LAMBDA 0.762d0
+ALPHA 7.5d-4
+MAX_CAPILLARY_PRESSURE 1.d6
+/
+
+:=========================== regions ==========================================
+REGION all
+COORDINATES
+0.d0 0.d0 0.d0
+100.d0 100.d0 100.D0
+/
+END
+
+REGION west
+FACE WEST
+COORDINATES
+0.d0 0.d0 0.d0
+0.d0 100.d0 100.d0
+/
+END
+
+REGION east
+FACE EAST
+COORDINATES
+100.d0 0.d0 0.d0
+100.d0 100.d0 100.d0
+/
+END
+
+REGION top
+FACE TOP
+COORDINATES
+0.d0 0.d0 100.d0
+100.d0 100.d0 100.d0
+/
+END
+
+REGION well
+COORDINATES
+50.d0 50.d0 50.d0
+50.d0 50.d0 50.d0
+/
+END
+
+REGION obs
+  FACE TOP
+  COORDINATES
+    50.d0 50.d0 100.d0
+    50.d0 50.d0 100.d0
+  /
+END
+
+OBSERVATION obs
+  REGION obs
+  VELOCITY
+END
+
+:=========================== flow conditions ==================================
+FLOW_CONDITION Initial
+UNITS Pa,C,M,yr
+TYPE
+PRESSURE hydrostatic
+TEMPERATURE dirichlet
+CONCENTRATION dirichlet
+ENTHALPY dirichlet
+/
+DATUM 0.d0 0.d0 100.d0
+IPHASE 1
+PRESSURE 2.d7 2.d7
+TEMPERATURE 75. C
+CONCENTRATION 1.d-16
+ENTHALPY 0.d0 0.d0
+/
+
+FLOW_CONDITION Top
+UNITS Pa,C,M,yr
+TYPE
+PRESSURE seepage
+:PRESSURE dirichlet
+:PRESSURE hydrostatic
+TEMPERATURE dirichlet
+CONCENTRATION dirichlet
+ENTHALPY dirichlet
+/
+DATUM 0.d0 0.d0 100.d0
+IPHASE 1
+PRESSURE 2D7 2D7
+TEMPERATURE 75.d0
+CONCENTRATION 1d-16
+ENTHALPY 0.d0 0.d0
+/
+
+FLOW_CONDITION Side
+UNITS Pa,C,M,yr
+TYPE
+PRESSURE hydrostatic
+TEMPERATURE dirichlet
+CONCENTRATION dirichlet
+ENTHALPY dirichlet
+/
+DATUM 0.d0 0.d0 100.d0
+IPHASE 1
+PRESSURE 2.D7 2.D7
+TEMPERATURE 75.d0
+CONCENTRATION 1d-16
+ENTHALPY 0.d0 0.d0
+/
+
+FLOW_CONDITION Source
+  UNITS Pa,C,M,yr
+  SYNC_TIMESTEP_WITH_UPDATE
+  TYPE
+    RATE mass_rate
+    PRESSURE dirichlet
+    TEMPERATURE dirichlet
+    CONCENTRATION dirichlet
+    ENTHALPY dirichlet
+  /
+  RATE LIST
+    TIME_UNITS y
+    DATA_UNITS kg/s
+     0.  0. 10.d0
+    0.1 0. 0.
+  /
+  PRESSURE 2.d7 2.d7
+  TEMPERATURE 75.d0
+  CONCENTRATION 0.D0
+  ENTHALPY 0.d0 0.d0
+/
+
+:=========================== condition couplers ===============================
+: initial condition
+INITIAL_CONDITION
+FLOW_CONDITION Initial
+REGION all
+END
+
+skip
+: boundary condition
+BOUNDARY_CONDITION east
+  FLOW_CONDITION Side
+  REGION east
+END
+
+BOUNDARY_CONDITION west
+  FLOW_CONDITION Side
+  REGION west
+END
+noskip
+
+BOUNDARY_CONDITION top
+  FLOW_CONDITION Top
+  REGION top
+END
+
+SOURCE_SINK src
+FLOW_CONDITION Source
+REGION well
+END
+
+:=========================== stratigraphy couplers ============================
+STRATA
+REGION all
+MATERIAL soil1
+END

File regression_tests/default/mphase/mphase.regression.gold

+-- GENERIC: Temperature --
+      Max:   7.6218415304958E+01
+      Min:   7.4998541506145E+01
+     Mean:   7.5178285864837E+01
+        1:   7.5000026036984E+01
+       12:   7.5000136208905E+01
+       23:   7.5000274746547E+01
+       34:   7.5000466437117E+01
+       45:   7.5000722118620E+01
+       56:   7.5001017430185E+01
+       67:   7.5001311442166E+01
+       78:   7.5001578642576E+01
+       89:   7.5001793957474E+01
+      100:   7.5001914964791E+01
+-- PRESSURE: Liquid Pressure --
+      Max:   2.0917853306826E+07
+      Min:   2.0048136584526E+07
+     Mean:   2.0483201414773E+07
+        1:   2.0917725208574E+07
+       12:   2.0821218728737E+07
+       23:   2.0724691893508E+07
+       34:   2.0628136967746E+07
+       45:   2.0531546985903E+07
+       56:   2.0434924002378E+07
+       67:   2.0338278741969E+07
+       78:   2.0241622636494E+07
+       89:   2.0144966243757E+07
+      100:   2.0048318446233E+07
+-- PRESSURE: Gas Pressure --
+      Max:   2.0917853306826E+07
+      Min:   2.0048204202450E+07
+     Mean:   2.0483345342593E+07
+        1:   2.0917725208574E+07
+       12:   2.0821218728737E+07
+       23:   2.0724691893508E+07
+       34:   2.0628136967746E+07
+       45:   2.0531546985903E+07
+       56:   2.0434924002378E+07
+       67:   2.0338278741969E+07
+       78:   2.0241622636494E+07
+       89:   2.0144966243757E+07
+      100:   2.0048318446233E+07
+-- SATURATION: Liquid Saturation --
+      Max:   1.0000000000000E+00
+      Min:   7.3038001619324E-01
+     Mean:   9.8005389056734E-01
+        1:   1.0000000000000E+00
+       12:   1.0000000000000E+00
+       23:   1.0000000000000E+00
+       34:   1.0000000000000E+00
+       45:   1.0000000000000E+00
+       56:   1.0000000000000E+00
+       67:   1.0000000000000E+00
+       78:   1.0000000000000E+00
+       89:   1.0000000000000E+00
+      100:   1.0000000000000E+00
+-- SATURATION: Gas Saturation --
+      Max:   2.6961998380676E-01
+      Min:   0.0000000000000E+00
+     Mean:   1.9946109432664E-02
+        1:   0.0000000000000E+00
+       12:   0.0000000000000E+00
+       23:   0.0000000000000E+00
+       34:   0.0000000000000E+00
+       45:   0.0000000000000E+00
+       56:   0.0000000000000E+00
+       67:   0.0000000000000E+00
+       78:   0.0000000000000E+00
+       89:   0.0000000000000E+00
+      100:   0.0000000000000E+00
+-- GENERIC: Liquid Density --
+      Max:   9.9201838481228E+02
+      Min:   9.8352198516070E+02
+     Mean:   9.8545060844460E+02
+        1:   9.8389461853073E+02
+       12:   9.8385336202020E+02
+       23:   9.8381206933247E+02
+       34:   9.8377072293045E+02
+       45:   9.8372933774199E+02
+       56:   9.8368786720828E+02
+       67:   9.8364638068875E+02
+       78:   9.8360489902233E+02
+       89:   9.8356343947767E+02
+      100:   9.8352202881775E+02
+-- GENERIC: Gas Density --
+      Max:   9.8389467031687E+02
+      Min:   6.1976181262880E+02
+     Mean:   8.8869023319599E+02
+        1:   9.8389461853072E+02
+       12:   9.8385336201993E+02
+       23:   9.8381206914723E+02
+       34:   9.8377067231242E+02
+       45:   9.8372551962503E+02
+       56:   9.8368585328564E+02
+       67:   9.8364563806542E+02
+       78:   9.8360472322535E+02
+       89:   9.8356341167901E+02
+      100:   9.8352202676156E+02
+-- GENERIC: Liquid Energy --
+      Max:   5.6677683063459E+00
+      Min:   5.5755150123033E+00
+     Mean:   5.5904006658433E+00
+        1:   5.5755275194691E+00
+       12:   5.5758865608126E+00
+       23:   5.5762479340362E+00
+       34:   5.5766135156710E+00
+       45:   5.5769841399758E+00
+       56:   5.5773579843776E+00
+       67:   5.5777319588950E+00
+       78:   5.5781041197697E+00
+       89:   5.5784725585985E+00
+      100:   5.5788340788463E+00
+-- GENERIC: Gas Energy --
+      Max:   1.4685933847569E+01
+      Min:   1.4398269836236E+01
+     Mean:   1.4499024654006E+01
+        1:   1.4398309577197E+01
+       12:   1.4416391172593E+01
+       23:   1.4434493219515E+01
+       34:   1.4452619776698E+01
+       45:   1.4470773413085E+01
+       56:   1.4489757484289E+01
+       67:   1.4508990866409E+01
+       78:   1.4528237463795E+01
+       89:   1.4547492774751E+01
+      100:   1.4566750850727E+01
+-- GENERIC: Liquid Viscosity --
+      Max:   3.7783478098255E-04
+      Min:   3.7188641737687E-04
+     Mean:   3.7689694081490E-04
+        1:   3.7783396860120E-04
+       12:   3.7781711446650E-04
+       23:   3.7780011801725E-04
+       34:   3.7778285660628E-04
+       45:   3.7776527598270E-04
+       56:   3.7774749571437E-04
+       67:   3.7772971795477E-04
+       78:   3.7771206952498E-04
+       89:   3.7769467496771E-04
+      100:   3.7767774348587E-04
+-- GENERIC: Gas Viscosity --
+      Max:   5.1133557086926E-05
+      Min:   4.8425474429103E-05
+     Mean:   5.0048564699265E-05
+        1:   5.1133168605425E-05
+       12:   5.0919393922742E-05
+       23:   5.0705556378946E-05
+       34:   5.0491623327454E-05
+       45:   5.0277572519504E-05
+       56:   5.0057186447956E-05
+       67:   4.9834959781058E-05
+       78:   4.9612724861984E-05
+       89:   4.9390521663457E-05
+      100:   4.9168397195284E-05
+-- GENERIC: Liquid Mobility --
+      Max:   2.6595302951023E+03
+      Min:   6.1811943566607E+02
+     Mean:   2.4598377264164E+03
+        1:   2.6466651574557E+03
+       12:   2.6467832231794E+03
+       23:   2.6469022965058E+03
+       34:   2.6470232370607E+03
+       45:   2.6471464255116E+03
+       56:   2.6472710245474E+03
+       67:   2.6473956177304E+03
+       78:   2.6475193161225E+03
+       89:   2.6476412464261E+03
+      100:   2.6477599415053E+03
+-- GENERIC: Gas Mobility --
+      Max:   2.4262809130367E+03
+      Min:   0.0000000000000E+00
+     Mean:   1.3342224673641E+02
+        1:   0.0000000000000E+00
+       12:   0.0000000000000E+00
+       23:   0.0000000000000E+00
+       34:   0.0000000000000E+00
+       45:   0.0000000000000E+00
+       56:   0.0000000000000E+00
+       67:   0.0000000000000E+00
+       78:   0.0000000000000E+00
+       89:   0.0000000000000E+00
+      100:   0.0000000000000E+00
+-- GENERIC: Liquid Mole Fraction H2O --
+      Max:   1.0000000000000E+00
+      Min:   9.7904429468881E-01
+     Mean:   9.9533117571026E-01
+        1:   1.0000000000000E+00
+       12:   1.0000000000000E+00
+       23:   9.9999999999691E-01
+       34:   9.9999999916488E-01
+       45:   9.9999993761854E-01
+       56:   9.9999996742955E-01
+       67:   9.9999998811288E-01
+       78:   9.9999999721481E-01
+       89:   9.9999999956408E-01
+      100:   9.9999999996808E-01
+-- GENERIC: Liquid Mole Fraction CO2 --
+      Max:   2.0955705311193E-02
+      Min:   1.0363924543718E-16
+     Mean:   4.6688242897370E-03
+        1:   1.0363924543718E-16
+       12:   4.4317867932364E-15
+       23:   3.0861642945721E-12
+       34:   8.3511517446291E-10
+       45:   6.2381458466147E-08
+       56:   3.2570450715731E-08
+       67:   1.1887121125229E-08
+       78:   2.7851878508322E-09
+       89:   4.3592341362712E-10
+      100:   3.1915431805879E-11
+-- GENERIC: Gas Mole Fraction H2O --
+      Max:   1.0000000000000E+00
+      Min:   1.8814554417181E-03
+     Mean:   7.7782469904450E-01
+        1:   1.0000000000000E+00
+       12:   9.9999999999979E-01
+       23:   9.9999999985646E-01
+       34:   9.9999996110957E-01
+       45:   9.9999709141284E-01
+       56:   9.9999847949936E-01
+       67:   9.9999944437817E-01
+       78:   9.9999986965354E-01
+       89:   9.9999997957324E-01
+      100:   9.9999999850260E-01
+-- GENERIC: Gas Mole Fraction CO2 --
+      Max:   9.9811854455828E-01
+      Min:   4.8088943680653E-15
+     Mean:   2.2217530095550E-01
+        1:   4.8088943680653E-15
+       12:   2.0588397268105E-13
+       23:   1.4354491916182E-10
+       34:   3.8890431505824E-08
+       45:   2.9085871618418E-06
+       56:   1.5205006449261E-06
+       67:   5.5562182547300E-07
+       78:   1.3034646280032E-07
+       89:   2.0426756068091E-08
+      100:   1.4973957081146E-09
+-- GENERIC: Phase --
+      Max:   3.0000000000000E+00
+      Min:   1.0000000000000E+00
+     Mean:   1.3272727272727E+00
+        1:   1.0000000000000E+00
+       12:   1.0000000000000E+00
+       23:   1.0000000000000E+00
+       34:   1.0000000000000E+00
+       45:   1.0000000000000E+00
+       56:   1.0000000000000E+00
+       67:   1.0000000000000E+00
+       78:   1.0000000000000E+00
+       89:   1.0000000000000E+00
+      100:   1.0000000000000E+00
+-- DISCRETE: Material ID --
+      Max:         1
+      Min:         1
+     Mean:   1.0000000000000E+00
+        1:         1
+       12:         1
+       23:         1
+       34:         1
+       45:         1
+       56:         1
+       67:         1
+       78:         1
+       89:         1
+      100:         1
+-- GENERIC: LIQUID VELOCITY [m/y] --
+        1:  -3.0237443959984E-01  0.0000000000000E+00  3.3261493643968E-01
+       12:  -3.7034103020993E-01  0.0000000000000E+00  5.3631255690211E-01
+       23:  -4.8781669939439E-01  0.0000000000000E+00  1.0083303144204E+00
+       34:  -5.9362525188439E-01  0.0000000000000E+00  1.6031791862241E+00
+       45:  -5.6256233058761E-01  0.0000000000000E+00  2.2391681994191E+00
+       56:  -3.9987817786718E-01  0.0000000000000E+00  2.7686246186596E+00
+       67:  -2.2637784398689E-01  0.0000000000000E+00  3.1131998721412E+00
+       78:  -6.6098907996042E-02  0.0000000000000E+00  3.2742088013226E+00
+       89:   6.8796231868462E-02  0.0000000000000E+00  3.2728765051447E+00
+      100:   1.0562764389070E-01  0.0000000000000E+00  3.1770910896304E+00
+-- GENERIC: GAS VELOCITY [m/y] --
+        1:   0.0000000000000E+00  0.0000000000000E+00  0.0000000000000E+00
+       12:   0.0000000000000E+00  0.0000000000000E+00  0.0000000000000E+00
+       23:   0.0000000000000E+00  0.0000000000000E+00  0.0000000000000E+00
+       34:   0.0000000000000E+00  0.0000000000000E+00  0.0000000000000E+00
+       45:   0.0000000000000E+00  0.0000000000000E+00  0.0000000000000E+00
+       56:   0.0000000000000E+00  0.0000000000000E+00  0.0000000000000E+00
+       67:   0.0000000000000E+00  0.0000000000000E+00  0.0000000000000E+00
+       78:   0.0000000000000E+00  0.0000000000000E+00  0.0000000000000E+00
+       89:   0.0000000000000E+00  0.0000000000000E+00  0.0000000000000E+00
+      100:   0.0000000000000E+00  0.0000000000000E+00  0.0000000000000E+00
+-- SOLUTION: Flow --
+   Time (seconds):   9.8681688308716E-01
+   Time Steps:          218
+   Newton Iterations:          453
+   Solver Iterations:         4597
+   Time Step Cuts:            0
+   Solution 2-Norm:   2.1485084192392E+08
+   Residual 2-Norm:   1.0728018459819E-10

File src/pflotran/mphase.F90

                          realization%fluid_properties, option, xphi)
     
       if( associated(global_aux_vars_bc))then
-        global_aux_vars_bc(sum_connection)%pres(:)= aux_vars_bc(sum_connection)%aux_var_elem(0)%pres -&
+        global_aux_vars_bc(sum_connection)%pres(:) = aux_vars_bc(sum_connection)%aux_var_elem(0)%pres -&
                      aux_vars_bc(sum_connection)%aux_var_elem(0)%pc(:)
-        global_aux_vars_bc(sum_connection)%temp(:)=aux_vars_bc(sum_connection)%aux_var_elem(0)%temp
-        global_aux_vars_bc(sum_connection)%sat(:)=aux_vars_bc(sum_connection)%aux_var_elem(0)%sat(:)
+        global_aux_vars_bc(sum_connection)%temp(:) = aux_vars_bc(sum_connection)%aux_var_elem(0)%temp
+        global_aux_vars_bc(sum_connection)%sat(:) = aux_vars_bc(sum_connection)%aux_var_elem(0)%sat(:)
         !    global_aux_vars(ghosted_id)%sat_store = 
-        global_aux_vars_bc(sum_connection)%fugacoeff(1)=xphi
-        global_aux_vars_bc(sum_connection)%den(:)=aux_vars_bc(sum_connection)%aux_var_elem(0)%den(:)
+        global_aux_vars_bc(sum_connection)%fugacoeff(1) = xphi
+        global_aux_vars_bc(sum_connection)%den(:) = aux_vars_bc(sum_connection)%aux_var_elem(0)%den(:)
         global_aux_vars_bc(sum_connection)%den_kg(:) = aux_vars_bc(sum_connection)%aux_var_elem(0)%den(:) &
                                           * aux_vars_bc(sum_connection)%aux_var_elem(0)%avgmw(:)
 !       print *,'xxbc ', xxbc, iphasebc, global_aux_vars_bc(sum_connection)%den_kg(:)
         mnacl= global_aux_vars_bc(sum_connection)%m_nacl(1)
-        if(global_aux_vars_bc(sum_connection)%m_nacl(2)>mnacl) mnacl= global_aux_vars_bc(sum_connection)%m_nacl(2)
+        if(global_aux_vars_bc(sum_connection)%m_nacl(2)>mnacl) mnacl = global_aux_vars_bc(sum_connection)%m_nacl(2)
         ynacl =  mnacl/(1.d3/FMWH2O + mnacl)
-        global_aux_vars_bc(sum_connection)%xmass(1)= (1.d0-ynacl)&
+        global_aux_vars_bc(sum_connection)%xmass(1) = (1.d0-ynacl)&
                               *aux_vars_bc(sum_connection)%aux_var_elem(0)%xmol(1) * FMWH2O&
                               /((1.d0-ynacl)*aux_vars_bc(sum_connection)%aux_var_elem(0)%xmol(1) * FMWH2O &
                               +aux_vars_bc(sum_connection)%aux_var_elem(0)%xmol(2) * FMWCO2 &
                               +ynacl*aux_vars_bc(sum_connection)%aux_var_elem(0)%xmol(1)*FMWNACL)
-      global_aux_vars_bc(sum_connection)%xmass(2)=aux_vars_bc(sum_connection)%aux_var_elem(0)%xmol(3) * FMWH2O&
+      global_aux_vars_bc(sum_connection)%xmass(2) = aux_vars_bc(sum_connection)%aux_var_elem(0)%xmol(3) * FMWH2O&
                               /(aux_vars_bc(sum_connection)%aux_var_elem(0)%xmol(3) * FMWH2O&
                               +aux_vars_bc(sum_connection)%aux_var_elem(0)%xmol(4) * FMWCO2) 
  
 !     if(pressure_min < 0D0) pressure_min = 0D0 !not limited by pressure lower bound   
 
     ! production well (well status = -1)
-      if( dabs(well_status + 1D0) < 1D-1) then 
+      if( dabs(well_status + 1.D0) < 1.D-1) then
         if(aux_var%pres > pressure_min) then
           Dq = well_factor 
           do np = 1, option%nphase
             dphi = aux_var%pres - aux_var%pc(np) - pressure_bh
-            if (dphi>=0.D0) then ! outflow only
+            if (dphi >= 0.D0) then ! outflow only
               ukvr = aux_var%kvr(np)
-              if(ukvr<1e-20) ukvr=0D0
-              v_darcy=0D0
-              if (ukvr*Dq>floweps) then
+              if(ukvr < 1.e-20) ukvr = 0.D0
+              v_darcy = 0.D0
+              if (ukvr*Dq > floweps) then
                 v_darcy = Dq * ukvr * dphi
                 ! store volumetric rate for ss_fluid_fluxes()
                 qsrc_phase(1) = -1.d0*v_darcy
       endif 
      !print *,'well-prod: ',  aux_var%pres,psrc(1), res
     ! injection well (well status = 2)
-      if( dabs(well_status - 2D0) < 1D-1) then 
+      if( dabs(well_status - 2.D0) < 1.D-1) then
 
         call wateos_noderiv(tsrc,aux_var%pres,dw_kg,dw_mol,enth_src_h2o, &
           option%scale,ierr)
         if( aux_var%pres < pressure_max)then  
           do np = 1, option%nphase
             dphi = pressure_bh - aux_var%pres + aux_var%pc(np)
-            if (dphi>=0.D0) then ! outflow only
+            if (dphi >= 0.D0) then ! outflow only
               ukvr = aux_var%kvr(np)
-              v_darcy=0.D0
+              v_darcy = 0.D0
               if (ukvr*Dq>floweps) then
                 v_darcy = Dq * ukvr * dphi
                 ! store volumetric rate for ss_fluid_fluxes()
 !                 aux_var%xmol((np-1)*option%nflowspec+2) * option%flow_dt
                   well_inj_co2 * option%flow_dt
 !               if(energy_flag) Res(3) = Res(3) + v_darcy*aux_var%den(np)*aux_var%h(np)*option%flow_dt
-                if(energy_flag) Res(3) = Res(3) + v_darcy*aux_var%den(np)* &
+                if(energy_flag) Res(3) = Res(3) + v_darcy*aux_var%den(np) * &
                   enth_src_h2o*option%flow_dt
                 
 !               print *,'inject: ',np,v_darcy
 #endif
         ! Flow term
         ukvr = 0.D0
-        v_darcy = 0.D0 
-        if (aux_var_up%sat(np) > sir_dn(np) .or. aux_var_dn%sat(np) > sir_dn(np)) then
+        v_darcy = 0.D0
+
+!       print *,'Seepage BC: pc/sat ',np, &
+!         aux_var_up%pc(np),aux_var_dn%pc(np),aux_var_up%sat(np),aux_var_dn%sat(np)
+
+       if (aux_var_up%sat(np) > sir_dn(np) .or. aux_var_dn%sat(np) > sir_dn(np)) then
           upweight = 1.D0
           if (aux_var_up%sat(np) < eps) then 
             upweight = 0.d0
           dphi = aux_var_up%pres - aux_var_dn%pres &
                 - aux_var_up%pc(np) + aux_var_dn%pc(np) + gravity
 
-!         print *,'Seepage BC: ',option%nphase,np,aux_var_up%pres,aux_var_dn%pres,dphi,gravity
-
-          if (pressure_bc_type == SEEPAGE_BC .or. &
+!         print *,'Seepage BC: press ',np,aux_var_up%pres,aux_var_dn%pres,dphi,gravity
+
+          if ((pressure_bc_type == SEEPAGE_BC .or. &
             pressure_bc_type == CONDUCTANCE_BC .or. &
-            pressure_bc_type == HET_SURF_SEEPAGE_BC .and. np == 2) then
+            pressure_bc_type == HET_SURF_SEEPAGE_BC) .and. np == 2) then
               ! flow in         ! boundary cell is <= pref
             if (dphi > 0.d0) then
               dphi = 0.d0
           if (ukvr*Dq > floweps) then
             v_darcy = Dq * ukvr * dphi
           endif
+
+!         print *,'Seepage: vD/kvr/dphi ',np,V_darcy,ukvr,Dq,dphi
         endif
 
         q = v_darcy * area 
         vv_darcy(np) = v_darcy
+
         uh = 0.D0
         uxmol = 0.D0
         mol_total_flux(np) = q*density_ave  
 
 #if 1
       if( associated(global_aux_vars_bc))then
-        global_aux_vars_bc(sum_connection)%pres(:)= aux_vars_bc(sum_connection)%aux_var_elem(0)%pres -&
+        global_aux_vars_bc(sum_connection)%pres(:) = aux_vars_bc(sum_connection)%aux_var_elem(0)%pres -&
                      aux_vars(ghosted_id)%aux_var_elem(0)%pc(:)
-        global_aux_vars_bc(sum_connection)%temp(:)=aux_vars_bc(sum_connection)%aux_var_elem(0)%temp
-        global_aux_vars_bc(sum_connection)%sat(:)=aux_vars_bc(sum_connection)%aux_var_elem(0)%sat(:)
+        global_aux_vars_bc(sum_connection)%temp(:) = aux_vars_bc(sum_connection)%aux_var_elem(0)%temp
+        global_aux_vars_bc(sum_connection)%sat(:) = aux_vars_bc(sum_connection)%aux_var_elem(0)%sat(:)
       !    global_aux_vars(ghosted_id)%sat_store = 
-        global_aux_vars_bc(sum_connection)%fugacoeff(1)=xphi
-        global_aux_vars_bc(sum_connection)%den(:)=aux_vars_bc(sum_connection)%aux_var_elem(0)%den(:)
+        global_aux_vars_bc(sum_connection)%fugacoeff(1) = xphi
+        global_aux_vars_bc(sum_connection)%den(:) = aux_vars_bc(sum_connection)%aux_var_elem(0)%den(:)
         global_aux_vars_bc(sum_connection)%den_kg = aux_vars_bc(sum_connection)%aux_var_elem(0)%den(:) &
                                           * aux_vars_bc(sum_connection)%aux_var_elem(0)%avgmw(:)
   !     global_aux_vars(ghosted_id)%den_kg_store

File src/pflotran/mphase_aux.F90

       aux_var%pc(:) = 0.D0
       aux_var%sat(1) = 0.D0
       aux_var%sat(2) = 1.D0
-      aux_var%pc(2) = 0.D0
       kr(1)= 0.D0
       kr(2)= 1.D0
     case(3)    

File src/pflotran/mphase_pckr_mod.F90

         um=pckr_m
         un=1.D0/(1.D0-um)
 
-        if(sw>pckr_sat_water_cut)then
+        if (sw>pckr_sat_water_cut) then
           upc=0.D0; upc_s=0.D0
-          kr(1)=1.d0;  kr(2)=0.d0;
+          kr(1)=1.d0; kr(2)=0.d0;
           kr_s(1)=0.d0; kr_s(2)=0.d0;
-        elseif(sw>(1.05D0*swir))then
+        elseif (sw > (1.05D0*swir)) then
           se=(sw-swir)/(1.D0-swir)
           temp=se**(-1.D0/um)
           upc=(temp-1.D0)**(1.d0/un)/ala
           temp=se**(-1.D0/um)
           upc=(temp-1.D0)**(1.d0/un)/ala
           upc_s=-1.D0/um/un*upc*(se**(-1.D0-1.D0/um))/(se**(-1.D0/um)-1.d0)
-          if(sw>swir)then
+          if (sw>swir) then
             temp=1.D0/temp
             kr(1)=sqrt(se)*(1.D0-(1.D0-temp)**um)**2.D0
             kr_s(1)=0.5d0*kr(1)/se+2.d0*sqrt(se)*(1.D0-(1.D0-temp)**um)* &
           end if
         end if
 
-        pc(1)=upc;  pc(2)=0.d0
+        pc(1)=upc; pc(2)=0.d0
         pc_s(1)=upc_s 
         pc_s(2)=0.d0
 
         lam=pckr_lambda
         ala=pckr_alpha
 
-        if(sw>(1.05D0*swir))then
+        if (sw > (1.05D0*swir)) then
           se=(sw-swir)/(sw0-swir)
           upc=se**(-1.D0/lam)/ala
           upc_s=-upc/se/lam
           se=(0.05d0*swir)/(1.D0-swir)
           upc=se**(-1.D0/lam)/ala
           upc_s=-upc/se/lam
-          if(sw>swir)then
+          if (sw > swir) then
             kr(1)=se**(2.d0/lam+3.d0)
             kr_s(1)=(2.d0/lam+3.d0)*kr(1)/se
             ser=(sw-swir)/(1.D0-swir)
             kr_s(2)=0.D0
           end if
         end if
-        pc(1)=upc;  pc(2)=0.d0
+        pc(1)=upc; pc(2)=0.d0
         pc_s(1)=upc_s 
         pc_s(2)=0.d0
 
         if(kr(2)>1.D0) kr(2)=1.D0; kr_s(2)=0.D0!;kr(1)=0.D0; kr_s(1)=0.D0
 
      
-        pc(1)=upc;  pc(2)=0.d0
+        pc(1)=upc; pc(2)=0.d0
         pc_s(1)=upc_s 
         pc_s(2)=0.d0
 
     ! if(present(pckr_beta))
       pckr_betac = pckr_beta
       sw = 1.D0 - sg
-      if(sw > 1.D0) sw = 1.D0
-      if(sw < 0.D0) sw = 0.D0
+      if (sw > 1.D0) sw = 1.D0
+      if (sw < 0.D0) sw = 0.D0
      
       sw0 = 1.d0
       pcmax = pckr_pcmax
       swir = pckr_sir(1)
       sgir = pckr_sir(2)
+      upc = 0.d0
+
       select case(ipckrtype)
 
       case(0) ! kr = 1