DATA SET 2: BASIC INTEGER PARAMETERS

Free format input contains 24 integers as follows:

1. IDIM = Number of dimensions (1, 2, or 3).
2. NNP = Number of nodal points.
3. NEL = Number of elements.
4. NMAT = Number of material types.
5. NCM = Number of elements with material property correction.
6. NTI = Number of time steps or time increments.

NOTE: NTI can be computed by NTI = I1 + 1 + I2 + 1, where

I1 = Largest integer not exceeding Log(DELMAX/DELT)/LOG(1+CHNG).

I2 = Largest integer not exceeding (RTIME – DELT * ((1 + CHNG)^(I1+1) – 1)/CHNG)/DELMAX.

RTIME = Real simulation time.

DELMAX, DELT, and CHNG are defined in Data Set 3.

7. KSS = Steady-state simulation control:

0 = Steady-state solution desired.

± 1 = No steady-state solution desired.

NOTE: The combination of KSS and NTI will determine the type of simulations.

• If KSS = 0 and NTI = 0, a steady state simulation will be performed.

• If KSS = 0 and NTI > 0, a transient simulation using the steady state solution as the initial condition will be performed.

• If KSS = 1 and NTI > 0, a transient simulation using user supplied initial condition will be performed. The program will equilibrate the user supplied initial condition before the transient simulation is run.

• If KSS = -1 and NTI > 0, a transient simulation using user supplied initial condition will be performed. The user supplied initial condition will not be equilibrated. The user is cautioned against using this option.

8. NMPPM = Number of material properties per material (4 material properties are needed for simulations without heat transfer, i.e., ISHEAT = 0 in Data Set 6a; otherwise 7 material properties are needed.)
9. KVI = Velocity input control:

-2 = Velocity and moisture content defined by Data Set 16, both variables are entered as a time series profile with at least two data points. See the description of Data Set 16 for details. For an example, see sample application 1.

-1 = Velocity and moisture content defined by Data Set 16.

1 = Steady-state velocity and moisture content read from Logical Unit 11.

2 = Transient velocity and moisture content read from Logical Unit 11.

10. ILUMP = Mass matrix lumping control:

0 = No lump.

1 = Lump.

11. IMID = Mid-difference control:

0 = No mid-difference.

1 = Mid-difference, and W in Data Set 3 should be 1.

12. IWET = Weighting function control:

0 = Galerkin weighting.

1 = Upstream weighting.

13. IOPTIM = Optimization factor computing indicator:

1 = Optimization factor is to be computed.

0 = Optimization factor is set to 1.0, 0.0, or -1.0.

14. NITER = Number of iterations allowed between hydrological-chemical iterations.
15. NDTCHG = Number of times to reset the time-step size to the initial value.
16. NPITER = Number of iterations allowed for solving the linear matrix equation with pointwise iteration.
17. IPNTS = Method to be used to solve the matrix equations:

0 = standard-banded Gaussian direct elimination procedure.

1 = pointwise iteration method.

2 = preconditioned conjugate gradient method, with polynomial as preconditioner.

3 = preconditioned conjugate gradient method, with incomplete Cholesky decomposition as preconditioner.

4 = preconditioned conjugate gradient method, with modified incomplete Cholesky decomposition as preconditioner.

5 = preconditioned conjugate gradient method, with symmetric successive over-relaxation as preconditioner

6 = preconditioned conjugate gradient method, with diagonal elements of the original matrix as preconditioner.

7 = preconditioned bi-conjugate gradient method.

18. KSTR = Restart auxiliary storage input control:

0 = No restart. Use this option when NSTR = 0.

1 = Input stored in Logical Unit 12 (FORTRAN binary unformatted file).

19. NSTR = Number of logical records to be read from Logical Unit 13 for restarting the calculation:

0 = No restart.

20. LGRN = Is the Lagrangian-Eulerian approach to be used:

1 = Yes.

0 = No.

21. IQUAD = Indicator for quadrature integration:

    11 = nodal quadrature for both surface integration and volume integration.

    12 = nodal and Gaussian quadrature for surface and volume integration, respectively.

    21 = Gaussian and nodal quadrature for surface and volume integration, respectively.

    22 = Gaussian quadrature for both surface and volume integration.

22. IDETQ = Option for velocity for the Lagrangian step.

1 = average velocity approach, available for two-dimensional problems only.

2 = single velocity approach.

23. IOPTRS = Option for operator splitting.

0 = do not use operator splitting (use fully implicit scheme).

1 = use operator splitting.

24. IAIEF = Option for adaptive implicit-explicit handling of the reaction term in the transport equations.

0 = no. (reaction term on RHS of transport equation).

1 = yes. (reaction term adaptively adjusted to LHS or RHS depending on sign).

If IPNTS >= 2 (i.e. if a preconditioned conjugate gradient method (PCG) is to be used), a second line is needed for the following 4 parameters:

1. IEIGEN = Signal of parameter estimation for GG in the polynomial PCG method:

0 = not requested.

1 = requested.

2. GG = The upper bound on the maximum eigenvalue of the coefficient matrix used in the polynomial PCG method.
3. ALPHA = Weighting factor for computing the diagonal element of the diagonal matrix used in the modified incomplete Cholesky PCG method.
4. OMEGA = Relaxation parameter used in the SSOR PCG method.

v1.1 - 6/8/1999

Jin-Ping Gwo, email: jgwo@umbc.edu