Made a number of requested changes, will push the rest tomorrow.

examples/arkode/F2003_parallel/CMakeLists.txt

@@ -1,5 +1,6 @@
 # ---------------------------------------------------------------
 # Programmer(s): David J. Gardner @ LLNL
+#                modified by Daniel M. Margolis @ SMU
 # ---------------------------------------------------------------
 # SUNDIALS Copyright Start
 # Copyright (c) 2002-2023, Lawrence Livermore National Security
@@ -16,19 +17,21 @@
 
 # Example lists are tuples "name\;nodes\;tasks\;type" where the
 # type is develop for examples excluded from 'make test' in releases
-if(SUNDIALS_LOGGING_ENABLE_MPI)
-  set(FARKODE_examples
-    "ark_brusselator1D_task_local_nls_f2003\;--monitor\;1\;4\;develop\;2"
-    "ark_brusselator1D_task_local_nls_f2003\;--monitor --global-nls\;1\;4\;develop\;2"
-    "ark_brusselator1D_task_local_nls_f2003\;--monitor --explicit --tf 3\;1\;4\;develop\;2"
-    "ark_diag_kry_bbd_f2003\;\;1\;4\;develop\;2"
-    "ark_diag_non_f2003\;\;1\;4\;develop\;2"
-    "ark_heat2D_f2003\;\;1\;4\;develop\;2")
-else()
-  set(FARKODE_examples
-    "ark_diag_kry_bbd_f2003\;\;1\;4\;develop\;2"
-    "ark_diag_non_f2003\;\;1\;4\;develop\;2"
-    "ark_heat2D_f2003\;\;1\;4\;develop\;2")
+if(MPI_ENABLED)
+  if(SUNDIALS_LOGGING_ENABLE_MPI)
+    set(FARKODE_examples
+      "ark_brusselator1D_task_local_nls_f2003\;--monitor\;1\;4\;develop\;2"
+      "ark_brusselator1D_task_local_nls_f2003\;--monitor --global-nls\;1\;4\;develop\;2"
+      "ark_brusselator1D_task_local_nls_f2003\;--monitor --explicit --tf 3\;1\;4\;develop\;2"
+      "ark_diag_kry_bbd_f2003\;\;1\;4\;develop\;2"
+      "ark_diag_non_f2003\;\;1\;4\;develop\;2"
+      "ark_heat2D_f2003\;\;1\;4\;develop\;2")
+  else()
+    set(FARKODE_examples
+      "ark_diag_kry_bbd_f2003\;\;1\;4\;develop\;2"
+      "ark_diag_non_f2003\;\;1\;4\;develop\;2"
+      "ark_heat2D_f2003\;\;1\;4\;develop\;2")
+  endif()
 endif()
 
 

examples/arkode/F2003_parallel/ark_diag_kry_bbd_f2003.f90

@@ -107,7 +107,7 @@ end function firhs
    !-----------------------------------------------------------------
 
    !-----------------------------------------------------------------
-   ! ODE RHS function f(t,y) (implicit).
+   ! Local g function for BBD preconditioner (calls ODE RHS function).
    !-----------------------------------------------------------------
    integer(c_int) function LocalgFn(nnlocal, t, sunvec_y, sunvec_g, user_data) &
      result(retval) bind(C)
@@ -141,7 +141,7 @@ end function LocalgFn
    !-----------------------------------------------------------------
 
    !-----------------------------------------------------------------
-   ! ODE RHS function f(t,y) (implicit).
+   ! Communication function for BBD preconditioner (Empty).
    !-----------------------------------------------------------------
    integer(c_int) function CommFn(nnlocal, t, sunvec_y, user_data) &
      result(retval) bind(C)

examples/arkode/F2003_parallel/ark_diag_non_f2003.f90

@@ -218,8 +218,9 @@ program driver
       call MPI_Abort(comm, 1, ierr)
    end if
 
-   ! Main time-stepping loop: calls ARKode to perform the integration, then
-   ! prints results.  Stops when the final time has been reached
+   ! Main time-stepping loop: calls FERKStepEvolve to perform the
+   ! integration, then prints results.  Stops when the final time
+   ! has been reached.
    t(1) = T0
    dTout = 0.1d0
    tout = T0+dTout

examples/arkode/F2003_serial/CMakeLists.txt

@@ -1,5 +1,6 @@
 # ---------------------------------------------------------------
 # Programmer(s): Cody J. Balos @ LLNL
+#                modified by Daniel M. Margolis @ SMU
 # ---------------------------------------------------------------
 # SUNDIALS Copyright Start
 # Copyright (c) 2002-2023, Lawrence Livermore National Security

examples/arkode/F2003_serial/README

@@ -11,7 +11,7 @@ List of serial ARKODE F2003 examples
 
   ark_roberts_dns_f2003       : robertson chemical kinetics ODE with rootfinding (DIRK/DENSE)
 
-  ark_roberts_dnsL_f2003      : robertson chemical kinetics ODE with rootfinding using LAPack (DIRK/DENSE)
+  ark_roberts_dnsL_f2003      : robertson chemical kinetics ODE with rootfinding using LAPACK (DIRK/DENSE)
 
   test_ark_butcher_f2003      : smoke tests for the Fortran 2003 interface to the ARKodeButcherTable API
 

examples/arkode/F2003_serial/ark_bruss_f2003.f90

@@ -349,7 +349,7 @@ program main
      stop 1
   end if
 
-    ! Open output stream for results, output comment line
+  ! Open output stream for results, output comment line
   open(100, file='solution.txt')
   write(100,*) '# t u v w'
 

examples/arkode/F2003_serial/ark_diurnal_kry_bp_f2003.f90

@@ -388,15 +388,14 @@ end program main
   ! ----------------------------------------------------------------
   ! ARKStepStats
   !
-  ! Print ARKODE statstics to stdandard out
+  ! Print ARKODE statstics to standard out
   ! ----------------------------------------------------------------
   subroutine ARKStepStats(arkode_mem)
 
     !======= Inclusions ===========
     use iso_c_binding
     use farkode_mod
     use farkode_arkstep_mod
-    !use farkode_bandpre_mod
 
     !======= Declarations =========
     implicit none

examples/arkode/F2003_serial/ark_roberts_dnsL_f2003.f90

@@ -46,7 +46,7 @@ module dnsL_mod
   contains
 
     ! ----------------------------------------------------------------
-    ! fcnirob: The implicit RSH operator function
+    ! fcnirob: The implicit RHS operator function
     !
     ! Return values:
     !    0 = success,
@@ -476,7 +476,7 @@ subroutine PrintHeader(rtol, avtol, y)
     print *, "Linear solver: LAPACK DENSE, with user-supplied Jacobian."
     print '(a,f6.4,a,3(es7.0,1x))', "Tolerance parameters:  rtol = ",rtol,"   atol = ", avtol
     print '(a,3(f5.2,1x),a)', "Initial conditions y0 = (",y,")"
-    print *, "Constraints and id not used."
+    print *, "Constraints not used."
     print *, " "
     print *, "----------------------------------------------------------------------"
     print *, "   t            y1           y2           y3       | nst      h"

examples/arkode/F2003_serial/ark_roberts_dns_f2003.f90

@@ -46,7 +46,7 @@ module dns_mod
   contains
 
     ! ----------------------------------------------------------------
-    ! fcnirob: The implicit RSH operator function
+    ! fcnirob: The implicit RHS operator function
     !
     ! Return values:
     !    0 = success,
@@ -476,7 +476,7 @@ subroutine PrintHeader(rtol, avtol, y)
     print *, "Linear solver: DENSE, with user-supplied Jacobian."
     print '(a,f6.4,a,3(es7.0,1x))', "Tolerance parameters:  rtol = ",rtol,"   atol = ", avtol
     print '(a,3(f5.2,1x),a)', "Initial conditions y0 = (",y,")"
-    print *, "Constraints and id not used."
+    print *, "Constraints not used."
     print *, " "
     print *, "----------------------------------------------------------------------"
     print *, "   t            y1           y2           y3       | nst      h"
@@ -532,7 +532,7 @@ end subroutine PrintOutput
   ! ----------------------------------------------------------------
   ! PrintFinalStats
   !
-  ! Print ARKSOL statstics to standard out
+  ! Print ARKStep statstics to standard out
   ! ----------------------------------------------------------------
   subroutine PrintFinalStats(arkode_mem)
 

examples/cvode/F2003_parallel/CMakeLists.txt

@@ -17,12 +17,7 @@
 
 # Example lists are tuples "name\;nodes\;tasks\;type" where the
 # type is develop for examples excluded from 'make test' in releases
-if(SUNDIALS_LOGGING_ENABLE_MPI)
-  set(FCVODE_examples
-    "cv_diag_kry_bbd_f2003\;\;1\;4\;develop\;2"
-    "cv_diag_kry_f2003\;\;1\;4\;develop\;2"
-    "cv_diag_non_f2003\;\;1\;4\;develop\;2")
-else()
+if(MPI_ENABLED)
   set(FCVODE_examples
     "cv_diag_kry_bbd_f2003\;\;1\;4\;develop\;2"
     "cv_diag_kry_f2003\;\;1\;4\;develop\;2"

examples/cvode/F2003_parallel/cv_diag_kry_bbd_f2003.f90

@@ -1,6 +1,6 @@
 !-----------------------------------------------------------------
-! Programmer(s): Daniel R. Reynolds @ SMU
-!                modified by Daniel M. Margolis @ SMU
+! Programmer(s): Daniel M. Margolis @ SMU
+!                modified from previous ARKODE examples
 !-----------------------------------------------------------------
 ! SUNDIALS Copyright Start
 ! Copyright (c) 2002-2023, Lawrence Livermore National Security
@@ -94,7 +94,7 @@ integer(c_int) function firhs(t, sunvec_y, sunvec_ydot, user_data) &
       ! Initialize ydot to zero
       ydot = 0.d0
 
-      ! Fill ydot with ERP rhs function
+      ! Fill ydot with rhs function
       do i = 1,nlocal
          ydot(i) = -alpha * (myid * nlocal + i) * y(i)
       end do
@@ -105,7 +105,7 @@ end function firhs
     !-----------------------------------------------------------------
 
     !-----------------------------------------------------------------
-    ! ODE RHS function f(t,y) (implicit).
+    ! ODE RHS function used for BBD preconditioner.
     !-----------------------------------------------------------------
     integer(c_int) function LocalgFn(nnlocal, t, sunvec_y, sunvec_g, user_data) &
       result(retval) bind(C)
@@ -138,31 +138,6 @@ integer(c_int) function LocalgFn(nnlocal, t, sunvec_y, sunvec_g, user_data) &
     end function LocalgFn
     !-----------------------------------------------------------------
 
-    !-----------------------------------------------------------------
-    ! ODE RHS function f(t,y) (implicit).
-    !-----------------------------------------------------------------
-    integer(c_int) function CommFn(nnlocal, t, sunvec_y, user_data) &
-      result(retval) bind(C)
-
-      !======= Inclusions ===========
-      use, intrinsic :: iso_c_binding
-      use fsundials_nvector_mod
-
-      !======= Declarations =========
-      implicit none
-
-      ! calling variables
-      real(c_double), value :: t            ! current time
-      integer(c_long)       :: nnlocal      ! local space
-      type(N_Vector)        :: sunvec_y     ! solution N_Vector
-      type(N_Vector)        :: sunvec_ydot  ! rhs N_Vector
-      type(c_ptr)           :: user_data    ! user-defined data
-
-      retval = 0              ! Return with success
-      return
-    end function CommFn
-    !-----------------------------------------------------------------
-
   end module DiagkrybbdData
   !-----------------------------------------------------------------
 
@@ -331,7 +306,7 @@ program driver
     mudq = 0
     mldq = 0
     retval = FCVBBDPrecInit(cvode_mem, nlocal, mudq, mldq, mu, ml, 0.d0, &
-                            c_funloc(LocalgFn), c_funloc(CommFn))
+                            c_funloc(LocalgFn), c_null_ptr)
     if (retval /= 0) then
        print *, "Error: FCVBBDPrecInit returned ", retval
        call MPI_Abort(comm, 1, ierr)

examples/cvode/F2003_parallel/cv_diag_kry_f2003.f90

@@ -1,6 +1,6 @@
 !-----------------------------------------------------------------
-! Programmer(s): Daniel R. Reynolds @ SMU
-!                modified by Daniel M. Margolis @ SMU
+! Programmer(s): Daniel M. Margolis @ SMU
+!                modified from previous ARKODE examples
 !-----------------------------------------------------------------
 ! SUNDIALS Copyright Start
 ! Copyright (c) 2002-2023, Lawrence Livermore National Security
@@ -94,7 +94,7 @@ integer(c_int) function firhs(t, sunvec_y, sunvec_ydot, user_data) &
       ! Initialize ydot to zero
       ydot = 0.d0
 
-      ! Fill ydot with ERP rhs function
+      ! Fill ydot with rhs function
       do i = 1,nlocal
          ydot(i) = -alpha * (myid * nlocal + i) * y(i)
       end do
@@ -104,33 +104,6 @@ integer(c_int) function firhs(t, sunvec_y, sunvec_ydot, user_data) &
     end function firhs
     !-----------------------------------------------------------------
 
-    !-----------------------------------------------------------------
-    ! Trivial preconditioner setup function.
-    !-----------------------------------------------------------------
-    integer(c_int) function Psetup(t, sunvec_y, sunvec_f, jok, jcur, &
-            gamma, user_data) result(retval) bind(C)
-
-      !======= Inclusions ===========
-      use, intrinsic :: iso_c_binding
-      use fsundials_nvector_mod
-
-      !======= Declarations =========
-      implicit none
-
-      ! calling variables
-      real(c_double), value :: t            ! current time
-      type(N_Vector)        :: sunvec_y     ! solution N_Vector
-      type(N_Vector)        :: sunvec_f     ! rhs N_Vector
-      integer(c_int), value :: jok
-      integer(c_int)        :: jcur
-      real(c_double), value :: gamma
-      type(c_ptr)           :: user_data    ! user-defined data
-
-      retval = 0              ! Return with success
-      return
-    end function Psetup
-    !-----------------------------------------------------------------
-
     !-----------------------------------------------------------------
     ! Routine to solve preconditioner linear system
     ! This routine uses a diagonal preconditioner P = I - gamma*J,
@@ -211,7 +184,6 @@ program driver
     use fsundials_linearsolver_mod ! Fortran interface to generic SUNLinearSolver
     use fsunlinsol_spgmr_mod       ! Fortran interface to spgmr SUNLinearSolver
     use fsundials_context_mod      ! Access sundials context
-
     use DiagkryData
 
     !======= Declarations =========
@@ -351,7 +323,7 @@ program driver
        call MPI_Abort(comm, 1, ierr)
     end if
 
-    retval = FCVodeSetPreconditioner(cvode_mem, c_funloc(Psetup), c_funloc(Psolve))
+    retval = FCVodeSetPreconditioner(cvode_mem, c_null_ptr, c_funloc(Psolve))
     if (retval /= 0) then
         print *, "Error: FCVodeSetPreconditioner returned ", retval
         call MPI_Abort(comm, 1, ierr)

examples/cvode/F2003_parallel/cv_diag_non_f2003.f90

@@ -1,6 +1,6 @@
 !-----------------------------------------------------------------
-! Programmer(s): Daniel R. Reynolds @ SMU
-!                modified by Daniel M. Margolis @ SMU
+! Programmer(s): Daniel M. Margolis @ SMU
+!                modified from previous ARKODE examples
 !-----------------------------------------------------------------
 ! SUNDIALS Copyright Start
 ! Copyright (c) 2002-2023, Lawrence Livermore National Security
@@ -89,7 +89,7 @@ integer(c_int) function frhs(t, sunvec_y, sunvec_ydot, user_data) &
       ! Initialize ydot to zero
       ydot = 0.d0
 
-      ! Fill ydot with ERP rhs function
+      ! Fill ydot with rhs function
       do i = 1,nlocal
          ydot(i) = -alpha * (myid * nlocal + i) * y(i)
       end do
@@ -196,7 +196,7 @@ program driver
        write(6,'(A,es9.2)') "   atol = ", atol
        write(6,'(A,es9.2)') "   alpha = ", alpha
        write(6,*) "   ydot_i = -alpha*i * y_i (i = 1,...,neq)"
-       write(6,*) "   Method is ADAMS/FIXED-POINT/SPGMR"
+       write(6,*) "   Method is ADAMS/FIXED-POINT"
        write(6,*) "  "
     endif
 

examples/cvode/F2003_serial/CMakeLists.txt

@@ -1,5 +1,6 @@
 # ---------------------------------------------------------------
 # Programmer(s): Cody J. Balos @ LLNL
+#                modified by Daniel M. Margolis @ SMU
 # ---------------------------------------------------------------
 # SUNDIALS Copyright Start
 # Copyright (c) 2002-2023, Lawrence Livermore National Security
@@ -28,12 +29,11 @@ set(FCVODE_examples
   "cv_diurnal_kry_bp_f2003\;develop"
   "cv_roberts_dns_constraints_f2003\;develop"
   "cv_roberts_dns_f2003\;develop"
-  #"cv_roberts_dnsL_f2003\;develop"
   )
 
 # Examples using LAPACK linear solvers
 set(FCVODE_examples_BL
-  )
+  "cv_roberts_dnsL_f2003\;develop")
 
 # Add sparse solvers examples for 64-bit indextype configurations only,
 # not compatible with 32-bit indextype

examples/cvode/F2003_serial/README

@@ -24,7 +24,7 @@ List of serial CVODE F2003 examples
 
     cv_roberts_dns_f2003.f90             : robertson problem from chemical kinetics (newton, dense, user-supplied jacobian)
 
-    cv_roberts_dnsL_f2003.f90            : robertson problem from chemical kinetics using LAPack (newton, dense, user-supplied jacobian)
+    cv_roberts_dnsL_f2003.f90            : robertson problem from chemical kinetics using LAPACK (newton, dense, user-supplied jacobian)
 
     cv_roberts_klu_f2003.f90             : robertson problem from chemical kinetics using KLU solver (newton, sparse, user-supplied jacobian)
 

examples/cvode/F2003_serial/cv_advdiff_bnd_f2003.f90

@@ -1,5 +1,7 @@
 ! ------------------------------------------------------------------
 ! Programmer(s): Daniel M. Margolis @ SMU
+!                based off the previous Fortran-77 example program, 
+!                cvode/fcmix_serial/fcvAdvDiff_bnd.f
 ! ------------------------------------------------------------------
 ! SUNDIALS Copyright Start
 ! Copyright (c) 2002-2023, Lawrence Livermore National Security
@@ -306,12 +308,6 @@ program main
        stop 1
     end if
 
-    ! ierr = FCVodeSetMaxNumSteps(cvode_mem, mxsteps)
-    ! if (ierr /= 0) then
-    !    print *, 'Error in FCVodeSetMaxNumSteps'
-    !    stop 1
-    ! end if
-
     ! Start time stepping
     print *, '   '
     print *, 'Band example problem:'

examples/cvode/F2003_serial/cv_analytic_sys_klu_f2003.f90

@@ -189,7 +189,6 @@ program main
   use fsundials_linearsolver_mod ! Fortran interface to generic SUNLinearSolver
   use fsundials_matrix_mod       ! Fortran interface to generic SUNMatrix
   use fsundials_nvector_mod      ! Fortran interface to generic N_Vector
-!   use fsundials_linearsolver_mod ! Fortran interface to generic SUNLinearSolver
   use ode_mod                    ! ODE functions
 
   !======= Declarations =========