SUNDIALS Release v5.3.0

CMakeLists.txt

@@ -30,13 +30,13 @@ project(sundials C)
 # Set some variables with info on the SUNDIALS project
 set(PACKAGE_BUGREPORT "[email protected]")
 set(PACKAGE_NAME "SUNDIALS")
-set(PACKAGE_STRING "SUNDIALS 5.2.0")
+set(PACKAGE_STRING "SUNDIALS 5.3.0")
 set(PACKAGE_TARNAME "sundials")
 
 # set SUNDIALS version numbers
 # (use "" for the version label if none is needed)
 set(PACKAGE_VERSION_MAJOR "5")
-set(PACKAGE_VERSION_MINOR "2")
+set(PACKAGE_VERSION_MINOR "3")
 set(PACKAGE_VERSION_PATCH "0")
 set(PACKAGE_VERSION_LABEL "")
 
@@ -63,37 +63,37 @@ mark_as_advanced(CLEAR
 
 # Specify the VERSION and SOVERSION for shared libraries
 
-set(arkodelib_VERSION "4.2.0")
+set(arkodelib_VERSION "4.3.0")
 set(arkodelib_SOVERSION "4")
 
-set(cvodelib_VERSION "5.2.0")
+set(cvodelib_VERSION "5.3.0")
 set(cvodelib_SOVERSION "5")
 
-set(cvodeslib_VERSION "5.2.0")
+set(cvodeslib_VERSION "5.3.0")
 set(cvodeslib_SOVERSION "5")
 
-set(idalib_VERSION "5.2.0")
+set(idalib_VERSION "5.3.0")
 set(idalib_SOVERSION "5")
 
-set(idaslib_VERSION "4.2.0")
+set(idaslib_VERSION "4.3.0")
 set(idaslib_SOVERSION "4")
 
-set(kinsollib_VERSION "5.2.0")
+set(kinsollib_VERSION "5.3.0")
 set(kinsollib_SOVERSION "5")
 
 set(cpodeslib_VERSION "0.0.0")
 set(cpodeslib_SOVERSION "0")
 
-set(nveclib_VERSION "5.2.0")
+set(nveclib_VERSION "5.3.0")
 set(nveclib_SOVERSION "5")
 
-set(sunmatrixlib_VERSION "3.2.0")
+set(sunmatrixlib_VERSION "3.3.0")
 set(sunmatrixlib_SOVERSION "3")
 
-set(sunlinsollib_VERSION "3.2.0")
+set(sunlinsollib_VERSION "3.3.0")
 set(sunlinsollib_SOVERSION "3")
 
-set(sunnonlinsollib_VERSION "2.2.0")
+set(sunnonlinsollib_VERSION "2.3.0")
 set(sunnonlinsollib_SOVERSION "2")
 
 # Specify the location of additional CMAKE modules
@@ -232,6 +232,13 @@ show_variable(SUNDIALS_INDEX_TYPE STRING "${DOCSTR}" "")
 mark_as_advanced(SUNDIALS_INDEX_TYPE)
 include(SundialsIndexSize)
 
+# ---------------------------------------------------------------
+# Option to specify monitoring
+# ---------------------------------------------------------------
+
+set(DOCSTR "Build with simulation monitoring capabilities enabled")
+sundials_option(SUNDIALS_BUILD_WITH_MONITORING BOOL ${DOCSTR} OFF)
+
 # ---------------------------------------------------------------
 # Enable Fortran interface?
 # ---------------------------------------------------------------
@@ -858,6 +865,17 @@ endif(CUDA_ENABLE)
 # Now that all languages are setup, we can configure them more.
 # ---------------------------------------------------------------
 
+# ---------------------------------------------------------------
+# Option to use specialized fused kernels in the packages.
+# Currently only available in CVODE.
+# ---------------------------------------------------------------
+
+if(CUDA_ENABLE AND CMAKE_CUDA_COMPILER AND BUILD_CVODE)
+  set(SUNDIALS_BUILD_PACKAGE_FUSED_KERNELS FALSE CACHE BOOL "Build specialized fused CUDA kernels")
+else()
+  set(SUNDIALS_BUILD_PACKAGE_FUSED_KERNELS FALSE CACHE BOOL "Build specialized fused CUDA kernels" FORCE)
+endif()
+
 # ---------------------------------------------------------------
 # Decide how to compile MPI codes. We must check for MPI if
 # MPI is enabled or if Trilinos is enabled because the Trilinos

README.md

@@ -1,5 +1,5 @@
 # SUNDIALS: SUite of Nonlinear and DIfferential/ALgebraic equation Solvers #
-### Version 5.2.0 (Mar 2020) ###
+### Version 5.3.0 (May 2020) ###
 
 **Center for Applied Scientific Computing, Lawrence Livermore National Laboratory**
 

examples/arkode/C_serial/CMakeLists.txt

@@ -15,29 +15,33 @@
 # CMakeLists.txt file for ARKODE serial examples
 # ---------------------------------------------------------------
 
-# Example lists are tuples "name\;type" where the type is
+# Example lists are tuples "name\;args\;type" where the type is
 # 'develop' for examples excluded from 'make test' in releases
 
 # Examples using SUNDIALS linear solvers
 set(ARKODE_examples
-  "ark_analytic\;"
-  "ark_analytic_nonlin\;develop"
-  "ark_brusselator\;develop"
-  "ark_brusselator_fp\;develop"
-  "ark_brusselator1D\;develop"
-  "ark_heat1D\;develop"
-  "ark_heat1D_adapt\;develop"
-  "ark_KrylovDemo_prec\;develop"
-  "ark_robertson\;develop"
-  "ark_robertson_constraints\;develop"
-  "ark_robertson_root\;develop"
-  "ark_brusselator_mri\;develop"
-  "ark_onewaycouple_mri\;develop"
-  "ark_twowaycouple_mri\;develop"
-  "ark_reaction_diffusion_mri\;develop"
-  "ark_brusselator_1D_mri\;develop"
+  "ark_analytic\;\;"
+  "ark_analytic_nonlin\;\;develop"
+  "ark_brusselator\;\;develop"
+  "ark_brusselator_fp\;\;develop"
+  "ark_brusselator1D\;\;develop"
+  "ark_heat1D\;\;develop"
+  "ark_heat1D_adapt\;\;develop"
+  "ark_KrylovDemo_prec\;\;develop"
+  "ark_robertson\;\;develop"
+  "ark_robertson_constraints\;\;develop"
+  "ark_robertson_root\;\;develop"
+  "ark_brusselator_mri\;\;develop"
+  "ark_onewaycouple_mri\;\;develop"
+  "ark_twowaycouple_mri\;\;develop"
+  "ark_reaction_diffusion_mri\;\;develop"
+  "ark_brusselator_1D_mri\;\;develop"
   )
 
+if(SUNDIALS_BUILD_WITH_MONITORING)
+  list(APPEND ARKODE_examples "ark_brusselator_fp\;1\;develop")
+endif()
+
 # Examples using LAPACK linear solvers
 set(ARKODE_examples_BL
   )
@@ -81,22 +85,34 @@ foreach(example_tuple ${ARKODE_examples})
 
   # parse the example tuple
   list(GET example_tuple 0 example)
-  list(GET example_tuple 1 example_type)
+  list(GET example_tuple 1 example_args)
+  list(GET example_tuple 2 example_type)
+
+  if (NOT TARGET ${example})
+    # example source files
+    add_executable(${example} ${example}.c)
+
+    # folder for IDEs
+    set_target_properties(${example} PROPERTIES FOLDER "Examples")
 
-  # example source files
-  add_executable(${example} ${example}.c)
+    # libraries to link against
+    target_link_libraries(${example} ${SUNDIALS_LIBS})
+  endif()
 
-  set_target_properties(${example} PROPERTIES FOLDER "Examples")
+  # check if example args are provided and set the test name
+  if("${example_args}" STREQUAL "")
+    set(test_name ${example})
+  else()
+    string(REGEX REPLACE " " "_" test_name ${example}_${example_args})
+  endif()
 
   # add example to regression tests
-  sundials_add_test(${example} ${example}
+  sundials_add_test(${test_name} ${example}
+    TEST_ARGS ${example_args}
     ANSWER_DIR ${CMAKE_CURRENT_SOURCE_DIR}
-    ANSWER_FILE ${example}.out
+    ANSWER_FILE ${test_name}.out
     EXAMPLE_TYPE ${example_type})
 
-  # libraries to link against
-  target_link_libraries(${example} ${SUNDIALS_LIBS})
-
   # install example source and out files
   if(EXAMPLES_INSTALL)
     install(FILES ${example}.c ${example}.out

examples/arkode/C_serial/ark_brusselator_fp.c

@@ -78,7 +78,7 @@ static int fi(realtype t, N_Vector y, N_Vector ydot, void *user_data);
 static int check_flag(void *flagvalue, const char *funcname, int opt);
 
 /* Main Program */
-int main()
+int main(int argc, char *argv[])
 {
   /* general problem parameters */
   realtype T0 = RCONST(0.0);     /* initial time */
@@ -93,17 +93,23 @@ int main()
   int maxcor = 10;               /* maximum # of nonlinear iterations/step */
   realtype a, b, ep, u0, v0, w0;
   realtype rdata[3];
+  int monitor = 0;               /* turn on/off monitoring */
 
   /* general problem variables */
   int flag;                       /* reusable error-checking flag */
   N_Vector y = NULL;              /* empty vector for storing solution */
   SUNNonlinearSolver NLS = NULL;  /* empty nonlinear solver object */
   void *arkode_mem = NULL;        /* empty ARKode memory structure */
-  FILE *UFID;
+  FILE *UFID, *INFOFID;
   realtype t, tout;
   int iout;
   long int nst, nst_a, nfe, nfi, nni, ncfn, netf;
 
+  /* read inputs */
+  if (argc == 2) {
+    monitor = atoi(argv[1]);
+  }
+
   /* set up the test problem according to the desired test */
   if (test == 1) {
     u0 = RCONST(3.9);
@@ -134,6 +140,9 @@ int main()
   printf("    problem parameters:  a = %"GSYM",  b = %"GSYM",  ep = %"GSYM"\n",a,b,ep);
   printf("    reltol = %.1"ESYM",  abstol = %.1"ESYM"\n\n",reltol,abstol);
 
+  /* Open up info output file */
+  if (monitor) INFOFID = fopen("ark_brusselator_fp-info.txt","w");
+
   /* Initialize data structures */
   rdata[0] = a;    /* set user data  */
   rdata[1] = b;
@@ -153,6 +162,12 @@ int main()
   /* Initialize fixed-point nonlinear solver and attach to ARKStep */
   NLS = SUNNonlinSol_FixedPoint(y, fp_m);
   if (check_flag((void *)NLS, "SUNNonlinSol_FixedPoint", 0)) return 1;
+  if (monitor) {
+    flag = SUNNonlinSolSetPrintLevel_FixedPoint(NLS, 1);
+    if (check_flag(&flag, "SUNNonlinSolSetPrintLevel_Newton", 1)) return(1);
+    flag = SUNNonlinSolSetInfoFile_FixedPoint(NLS, INFOFID);
+    if (check_flag(&flag, "SUNNonlinSolSetPrintLevel_Newton", 1)) return(1);
+  }
   flag = ARKStepSetNonlinearSolver(arkode_mem, NLS);
   if (check_flag(&flag, "ARKStepSetNonlinearSolver", 1)) return 1;
 
@@ -196,6 +211,7 @@ int main()
   }
   printf("   ----------------------------------------------\n");
   fclose(UFID);
+  if (monitor) fclose(INFOFID);
 
   /* Print some final statistics */
   flag = ARKStepGetNumSteps(arkode_mem, &nst);

examples/arkode/C_serial/ark_brusselator_fp_1.out

@@ -0,0 +1,27 @@
+
+Brusselator ODE test problem, fixed-point solver:
+    initial conditions:  u0 = 3,  v0 = 3,  w0 = 3.5
+    problem parameters:  a = 0.5,  b = 3,  ep = 0.0005
+    reltol = 1.0e-06,  abstol = 1.0e-10
+
+        t           u           v           w
+   ----------------------------------------------
+    1.000000    1.897255    1.274939    2.997155
+    2.000000    0.346125    2.366448    2.999481
+    3.000000    0.147442    2.862061    2.999781
+    4.000000    0.140733    3.226731    2.999788
+    5.000000    0.142659    3.583206    2.999788
+    6.000000    0.145095    3.936910    2.999782
+    7.000000    0.147720    4.287893    2.999780
+    8.000000    0.150542    4.635957    2.999775
+    9.000000    0.153590    4.980863    2.999768
+   10.000000    0.156901    5.322330    2.999763
+   ----------------------------------------------
+
+Final Solver Statistics:
+   Internal solver steps = 729 (attempted = 730)
+   Total RHS evals:  Fe = 4383,  Fi = 18793
+   Total number of fixed-point iterations = 14410
+   Total number of nonlinear solver convergence failures = 0
+   Total number of error test failures = 1
+

examples/cvode/C_mpimanyvector/CMakeLists.txt

@@ -38,6 +38,11 @@ else()
   set(NVECP_LIB sundials_nvecmpimanyvector_shared sundials_nvecparallel_shared)
 endif()
 
+if(SUNDIALS_BUILD_PACKAGE_FUSED_KERNELS)
+  list(APPEND CVODE_LIB
+       sundials_cvode_fused_stubs_${LINK_LIBRARY_TYPE})
+endif()
+
 # Set-up linker flags and link libraries
 set(SUNDIALS_LIBS ${CVODE_LIB} ${NVECP_LIB} ${EXTRA_LINK_LIBS})
 
@@ -87,6 +92,9 @@ if(EXAMPLES_INSTALL)
   # Prepare substitution variables for Makefile and/or CMakeLists templates
   set(SOLVER "CVODE")
   set(SOLVER_LIB "sundials_cvode")
+  if(SUNDIALS_BUILD_PACKAGE_FUSED_KERNELS)
+    set(LIBS "-lsundials_cvode_fused_stubs ${LIBS}")
+  endif()
 
   examples2string(CVODE_examples EXAMPLES)
 

examples/cvode/C_openmp/CMakeLists.txt

@@ -33,6 +33,11 @@ else()
   set(NVECOMP_LIB sundials_nvecopenmp_shared)
 endif()
 
+if(SUNDIALS_BUILD_PACKAGE_FUSED_KERNELS)
+  list(APPEND CVODE_LIB
+       sundials_cvode_fused_stubs_${LINK_LIBRARY_TYPE})
+endif()
+
 # Set-up linker flags and link libraries
 set(SUNDIALS_LIBS ${CVODE_LIB} ${NVECOMP_LIB} ${EXTRA_LINK_LIBS})
 
@@ -81,6 +86,9 @@ if(EXAMPLES_INSTALL)
   # Prepare substitution variables for Makefile and/or CMakeLists templates
   set(SOLVER "CVODE")
   set(SOLVER_LIB "sundials_cvode")
+  if(SUNDIALS_BUILD_PACKAGE_FUSED_KERNELS)
+    set(LIBS "-lsundials_cvode_fused_stubs ${LIBS}")
+  endif()
 
   examples2string(CVODE_examples EXAMPLES)
 

examples/cvode/C_openmpdev/CMakeLists.txt

@@ -32,6 +32,11 @@ else()
   set(NVECOMP_LIB sundials_nvecopenmpdev_shared)
 endif()
 
+if(SUNDIALS_BUILD_PACKAGE_FUSED_KERNELS)
+  list(APPEND CVODE_LIB
+       sundials_cvode_fused_stubs_${LINK_LIBRARY_TYPE})
+endif()
+
 # Set-up linker flags and link libraries
 set(SUNDIALS_LIBS ${CVODE_LIB} ${NVECOMP_LIB} ${EXTRA_LINK_LIBS})
 
@@ -81,6 +86,9 @@ if(EXAMPLES_INSTALL)
   # Prepare substitution variables for Makefile and/or CMakeLists templates
   set(SOLVER "CVODE")
   set(SOLVER_LIB "sundials_cvode")
+  if(SUNDIALS_BUILD_PACKAGE_FUSED_KERNELS)
+    set(LIBS "-lsundials_cvode_fused_stubs ${LIBS}")
+  endif()
 
   examples2string(CVODE_examples EXAMPLES)
 

examples/cvode/F2003_serial/CMakeLists.txt

@@ -46,6 +46,12 @@ else()
   set(CVODE_LIB sundials_fcvode_mod_shared)
 endif()
 
+if(SUNDIALS_BUILD_PACKAGE_FUSED_KERNELS)
+  list(APPEND CVODE_LIB
+       sundials_cvode_${LINK_LIBRARY_TYPE}
+       sundials_cvode_fused_stubs_${LINK_LIBRARY_TYPE})
+endif()
+
 # Set-up linker flags and link libraries
 set(SUNDIALS_LIBS ${CVODE_LIB} ${EXTRA_LINK_LIBS})
 
@@ -139,6 +145,9 @@ if(EXAMPLES_INSTALL)
   set(SOLVER_FLIB "sundials_fcvode_mod")
   set(NVEC_LIB "sundials_nvecserial")
   set(NVEC_FLIB "sundials_fnvecserial_mod")
+  if(SUNDIALS_BUILD_PACKAGE_FUSED_KERNELS)
+    set(LIBS "-lsundials_cvode_fused_stubs ${LIBS}")
+  endif()
 
   examples2string(FCVODE_examples EXAMPLES)