Merge pull request #2 from ukaea/dev-mijin-readme

Dev mijin readme

CHANGELOG.md

@@ -1,5 +1,16 @@
 # CHANGELOG
 
+## v1.1.0, 2023-06-28
+
+- Solver and integrator improvements
+
+### New Features
+
+- The BDE integrator internal controller now attempts to reduce the number of substeps back to 1 after every 50 successful integrations
+- Command line PETSc support for setting up the KSP solver object has been implemented. The command line ksp_type takes precedent over the integrator 
+options. This now allows for command line customization of the KSP object. Note that tolerances are still set from config options. 
+
+
 ## v1.0.0, 2023-06-21
 
 - Initial release

README.md

@@ -112,9 +112,10 @@ export PETSC_ARCH=arch-linux-c-opt
 export PATH=$PATH:/home/installs/petsc
 export PATH=$PATH:/home/installs/hdf5
 export PATH=$PATH:/home/installs/json-fortran/jsonfortran-gnu-8.2.5
-export PATH=/home/mpich-install/bin:$PATH
+export PATH=$PATH:/home/mpich-install/bin:$PATH
+export LD_LIBRARY_PATH=/home/mpich-install/lib:$LD_LIBRARY_PATH
 ```
-NOTE: Some of the above paths might have to be set differently depending on your system setup. 
+NOTE: Some of the above paths might have to be set differently depending on your system setup and you might have to define the ones you need after the corresponding installation. Another option is to export the paths before the start of the installation process. 
 
 ## Building ReMKiT1D 
 

src/modules/basic_integrators/implicit_PicardBDE_integrator.f90

@@ -35,14 +35,17 @@ module implicit_PicardBDE_integrator_class
 
     type ,public :: InternalControllerOptions 
 
-        integer(ik) :: currentNumSubsteps = 1
-        integer(ik) :: stepMultiplier = 2
-        integer(ik) :: stepDecrament = 1
+        integer(ik) :: currentNumSubsteps = 1 !! The current number of sub- timesteps 
+        integer(ik) :: stepMultiplier = 2 !! Which number to multiply the current number of substeps when a solve failure is detected
+        integer(ik) :: stepDecrament = 1 !! By how much to decrament the current number of timesteps when the number of nonlinear iterations drops below minNonlinIters
 
-        integer(ik) :: minNonlinIters = 5
+        integer(ik) :: minNonlinIters = 5 !! Number of nonlinear iterations below which the number of substeps gets reduced
 
-        integer(ik) :: maxRestarts = 3
-        integer(ik) :: restartCount = 0
+        integer(ik) :: maxRestarts = 3 !! Maximum number of consecutive solver restart attempts before critical failure is announced
+        integer(ik) :: restartCount = 0 !! Counter for consecutive number of solver restars 
+
+        integer(ik) :: consolidationInterval = 50 !! How many integration calls before currentNumSubsteps is again reduced to 1
+        integer(ik) :: stepsSinceLastConsolidation = 0 !! Counter for steps since last consolidation to 1 substep
 
     end type InternalControllerOptions
 

src/modules/basic_integrators/implicit_PicardBDE_integrator_procedures.f90

@@ -150,6 +150,13 @@ module subroutine integrateBDE(this,manipulatedModeller,outputVars,inputVars)
         call tryIntegrate(this,manipulatedModeller,outputVars,inputVars,numSteps,dt,solveSuccess)
         if (solveSuccess) then
             this%internalControlOpts%restartCount = 0
+            this%internalControlOpts%stepsSinceLastConsolidation = this%internalControlOpts%stepsSinceLastConsolidation + 1
+
+            if (this%internalControlOpts%stepsSinceLastConsolidation >= this%internalControlOpts%consolidationInterval) then 
+                this%internalControlOpts%currentNumSubsteps = 1
+                this%internalControlOpts%stepsSinceLastConsolidation = 0
+                call printMessage(this%integratorName//": Consolidating internal BDE steps")
+            end if
             exit
         end if 
     end do

src/modules/solver_support/petsc_controller_procedures.f90

@@ -141,6 +141,9 @@ module subroutine createPETScObjs(this)
         call KSPSetType(this%objs(i)%solver,this%options%kspSolverType,ierr)
         CHKERRQ(ierr)
 
+        call KSPSetFromOptions(this%objs(i)%solver,ierr)
+        CHKERRQ(ierr)
+
         call KSPGetPC(this%objs(i)%solver,this%objs(i)%preconditioner,ierr)
         CHKERRQ(ierr)