Feature: SUNDomEigEstimator upgrades

.github/workflows/ci.yml

@@ -96,7 +96,8 @@ jobs:
           # Check for changes to trigger python interface checks
           # Updates in include or bindings/sundials4py directories
           if git diff --name-only "$BASE" "$HEAD" | grep -qE '^(include/|bindings/sundials4py/)'; then
-            echo "python=true" >> "$GITHUB_OUTPUT"
+            #echo "python=true" >> "$GITHUB_OUTPUT"
+            echo "python=false" >> "$GITHUB_OUTPUT"
           else
             echo "python=false" >> "$GITHUB_OUTPUT"
           fi

examples/arkode/C_serial/ark_analytic_lsrk.out

@@ -19,22 +19,22 @@ Analytical ODE test problem:
    ---------------------
 
 Final Statistics:
-Current time                  = 10.0040469322476
-Steps                         = 1120
-Step attempts                 = 1124
+Current time                  = 10.0013387372969
+Steps                         = 1122
+Step attempts                 = 1125
 Stability limited steps       = 232
-Accuracy limited steps        = 1124
-Error test fails              = 4
+Accuracy limited steps        = 1125
+Error test fails              = 3
 NLS step fails                = 0
 Inequality constraint fails   = 0
 Initial step size             = 1.93010111094261e-10
 Last step size                = 0.01791
-Current step size             = 0.0370361796227445
-RHS fn evals                  = 141974
+Current step size             = 0.0393007765090647
+RHS fn evals                  = 141846
 Number of dom_eig updates     = 1
 Max. num. of stages used      = 199
 Max. num. of stages allowed   = 200
 Max. spectral radius          = 1010000
 Min. spectral radius          = 1010000
 
-ACCURACY at the final time   = 1.52101e-13
+ACCURACY at the final time   = 1.04139e-13

examples/arkode/C_serial/ark_analytic_lsrk_domeigest.c

@@ -237,6 +237,10 @@ int main(int argc, char* argv[])
   flag = ARKodeSetOptions(arkode_mem, NULL, NULL, argc, argv);
   if (check_flag(&flag, "ARKodeSetOptions", 1)) { return 1; }
 
+  /* Set real type dominant eigenvalue */
+  flag = SUNDomEigEstimator_SetReal_Power(DEE);
+  if (check_flag(&flag, "SUNDomEigEstimator_SetReal_Power", 1)) { return 1; }
+
   /* Open output stream for results, output comment line */
   UFID = fopen("solution.txt", "w");
   fprintf(UFID, "# t u\n");

examples/arkode/C_serial/ark_analytic_lsrk_domeigest.out

@@ -23,24 +23,24 @@ The stiffness of the problem is directly proportional to
    ---------------------
 
 Final Statistics:
-Current time                  = 10.0225297852833
-Steps                         = 1228
-Step attempts                 = 1293
-Stability limited steps       = 100
-Accuracy limited steps        = 1293
-Error test fails              = 65
+Current time                  = 10.0071779045287
+Steps                         = 1223
+Step attempts                 = 1280
+Stability limited steps       = 53
+Accuracy limited steps        = 1280
+Error test fails              = 57
 NLS step fails                = 0
 Inequality constraint fails   = 0
 Initial step size             = 1.93010111094261e-10
-Last step size                = 0.0231428574002256
-Current step size             = 0.0355362892083706
-RHS fn evals                  = 134017
-Number of dom_eig updates     = 85
-Number of fe calls for DEE    = 304
-Number of iterations for DEE  = 180
+Last step size                = 0.0232720439260913
+Current step size             = 0.026140590649044
+RHS fn evals                  = 132154
+Number of dom_eig updates     = 81
+Number of fe calls for DEE    = 278
+Number of iterations for DEE  = 172
 Max. num. of stages used      = 199
 Max. num. of stages allowed   = 200
-Max. spectral radius          = 1010100.99886782
+Max. spectral radius          = 1010100.56057129
 Min. spectral radius          = 1009899.00000001
 
-ACCURACY at the final time   = 2.41362e-13
+ACCURACY at the final time   = 5.97078e-13

examples/arkode/C_serial/ark_analytic_lsrk_domeigest_arkid.dom_eig_est_init_preprocess_iters_1_sundomeigestimator.max_iters_1.out

@@ -23,24 +23,24 @@ The stiffness of the problem is directly proportional to
    ---------------------
 
 Final Statistics:
-Current time                  = 10.0078124292941
-Steps                         = 1220
-Step attempts                 = 1279
-Stability limited steps       = 109
-Accuracy limited steps        = 1279
-Error test fails              = 59
+Current time                  = 10.0012842870746
+Steps                         = 1225
+Step attempts                 = 1282
+Stability limited steps       = 44
+Accuracy limited steps        = 1282
+Error test fails              = 57
 NLS step fails                = 0
 Inequality constraint fails   = 0
 Initial step size             = 1.93010111094261e-10
-Last step size                = 0.0231428888979688
-Current step size             = 0.0371525856132128
-RHS fn evals                  = 132879
+Last step size                = 0.0232720481291628
+Current step size             = 0.0257097908695329
+RHS fn evals                  = 132323
 Number of dom_eig updates     = 81
-Number of fe calls for DEE    = 147
+Number of fe calls for DEE    = 144
 Number of iterations for DEE  = 91
 Max. num. of stages used      = 199
 Max. num. of stages allowed   = 200
-Max. spectral radius          = 1010099.62410851
+Max. spectral radius          = 1010100.37814108
 Min. spectral radius          = 1009899
 
-ACCURACY at the final time   = 1.98952e-13
+ACCURACY at the final time   = 7.18314e-13

examples/arkode/C_serial/ark_analytic_lsrk_varjac.out

@@ -23,22 +23,22 @@ The stiffness of the problem is directly proportional to
    ---------------------
 
 Final Statistics:
-Current time                  = 10.0176850761672
-Steps                         = 1218
-Step attempts                 = 1274
-Stability limited steps       = 102
-Accuracy limited steps        = 1274
-Error test fails              = 56
+Current time                  = 10.0024706965917
+Steps                         = 1225
+Step attempts                 = 1283
+Stability limited steps       = 47
+Accuracy limited steps        = 1283
+Error test fails              = 58
 NLS step fails                = 0
 Inequality constraint fails   = 0
 Initial step size             = 1.93010111094261e-10
-Last step size                = 0.0231428715572232
-Current step size             = 0.035071188930862
-RHS fn evals                  = 133006
-Number of dom_eig updates     = 80
+Last step size                = 0.0232720622166514
+Current step size             = 0.0258318595494996
+RHS fn evals                  = 132509
+Number of dom_eig updates     = 81
 Max. num. of stages used      = 199
 Max. num. of stages allowed   = 200
-Max. spectral radius          = 1010100.38096708
+Max. spectral radius          = 1010099.76668785
 Min. spectral radius          = 1009899
 
-ACCURACY at the final time   = 2.42473e-13
+ACCURACY at the final time   = 6.7879e-13

examples/arkode/C_serial/ark_heat1D_adapt.out

@@ -1,4 +1,4 @@
-
+ 
 1D adaptive Heat PDE test problem:
   diffusion coefficient:  k = 0.5
   initial N = 21
@@ -9,70 +9,65 @@
     2  3.629021901461023e-08  7.258043802922046e-07  2.979456598576975e-08  21    5    7
     3  7.258043802922046e-07  1.451608760584409e-05  6.255954438851742e-07  21    5   10
     4  1.451608760584409e-05  2.903217521168818e-04  1.252930976498461e-05  21    5   15
-    5  2.903217521168818e-04  6.126068069781881e-04  2.459838644186664e-04  21    5   25
-    6  6.126068069781881e-04  9.290787020628410e-04  7.144322430967174e-04  21    5   32
-    7  9.290787020628410e-04  1.489561505368265e-03  1.379420423280650e-03  21    5   35
-    8  1.489561505368265e-03  2.325159614097476e-03  2.469259985973879e-03  23    5   52
-    9  2.325159614097476e-03  3.361999740397126e-03  4.371341102713489e-03  25    5   57
-   10  3.361999740397126e-03  6.201055294512660e-03  6.521135930410600e-03  25    5   54
-   11  6.201055294512660e-03  1.418650069539316e-02  9.936752057635645e-03  25    5   67
-   12  1.418650069539316e-02  2.333213441554981e-02  1.585365842114015e-02  31    5  105
-   13  2.333213441554981e-02  4.406570962017380e-02  2.310185354591536e-02  35    5  105
-   14  2.008720875364794e-02  2.008720875364794e-02  2.619890527929925e-02  39   10  210
-   15  7.612495042470456e-03  7.612495042470456e-03  2.610193126039753e-02  45   10  210
-   16  7.612495042470456e-03  1.454749389509495e-02  2.599543134042868e-02  49    5  105
-   17  1.035124260735241e-02  9.623584088096175e-03  2.668739865066598e-02  51   10  210
-   18  9.623584088096175e-03  1.808588536649627e-02  2.742440379794423e-02  51    5  105
-   19  7.662423372185243e-03  7.662423372185243e-03  2.902877933846531e-02  55   10  210
-   20  7.662423372185243e-03  7.128779196128293e-03  2.917474275029238e-02  57    5  105
-   21  7.128779196128293e-03  2.053445907774081e-02  2.954312382254983e-02  57    5  105
-   22  4.876204398547680e-03  4.876204398547680e-03  2.934121710997109e-02  59   15  315
-   23  4.876204398547680e-03  2.752514919310949e-02  2.907913475120046e-02  61    5  105
-   24  2.752514919310949e-02  4.377833231260805e-02  2.996863244315595e-02  61    5  105
-   25  5.860520609965611e-03  5.860520609965611e-03  3.011300327651581e-02  61   15  315
-   26  5.860520609965611e-03  2.122600293991792e-02  3.024518321533060e-02  61    5  105
-   27  2.122600293991792e-02  3.112837153750105e-02  3.064025813334170e-02  61    5  105
-   28  1.870342143878760e-02  1.870342143878760e-02  3.090712832903318e-02  61   10  210
-   29  1.305397332951553e-02  1.305397332951553e-02  3.105660078721369e-02  61   10  210
-   30  1.305397332951553e-02  3.913625221524024e-02  3.118619476221617e-02  61    5  105
-   31  8.923092432433761e-03  8.923092432433761e-03  3.126466431767916e-02  61   15  315
-   32  8.923092432433761e-03  5.453693279556655e-02  3.133618094903397e-02  61    5  105
-   33  5.453693279556655e-02  4.954496883018829e-02  3.168843516690587e-02  61    5  105
-   34  3.014010839536864e-02  3.014010839536864e-02  3.181338185246980e-02  61   10  210
-   35  3.014010839536864e-02  3.678555807281301e-02  3.191794712426370e-02  61    5  105
-   36  3.678555807281301e-02  3.476686530276936e-02  3.202902948330123e-02  61    5  105
-   37  3.476686530276936e-02  3.960510158166916e-02  3.210723616069101e-02  61    5  105
-   38  9.901275395417290e-03  9.901275395417290e-03  3.212754808688930e-02  61   10  210
-   39  9.901275395417290e-03  1.608611002309788e-02  3.214647303730912e-02  61    5  105
-   40  1.608611002309788e-02  1.737382001042755e-02  3.217640642946924e-02  61    5  105
-   41  5.780028939058430e-03  5.780028939058430e-03  3.218639994967080e-02  61   10  210
-   42  5.780028939058430e-03  1.978316801800984e-02  3.219614944911910e-02  61    5  105
-   43  1.978316801800984e-02  7.923920461515500e-02  3.222753929792427e-02  61    5  105
-   44  3.859752706881468e-02  3.744468647560687e-02  3.227866560109782e-02  61   10  210
-   45  9.361171618901718e-03  9.361171618901718e-03  3.229006833024283e-02  61    8  168
-   46  9.361171618901718e-03  3.048633995504502e-02  3.230111259528021e-02  61    5  105
-   47  7.621584988761255e-03  7.621584988761255e-03  3.230976204749648e-02  61    6  126
-   48  7.621584988761255e-03  2.404168804167736e-02  3.231811860211665e-02  61    5  105
-   49  6.010422010419341e-03  6.010422010419341e-03  3.232449785857627e-02  61    9  189
-   50  6.010422010419341e-03  6.453871784197467e-02  3.233069573088176e-02  61    5   88
-   51  1.613467946049367e-02  1.613467946049367e-02  3.234646577367104e-02  61    8  168
-   52  1.613467946049367e-02  7.983978031506800e-02  3.236106367911412e-02  61    5  105
-   53  1.995994507876700e-02  1.995994507876700e-02  3.237758969538931e-02  61    6  126
-   54  1.995994507876700e-02  5.327643670096720e-02  3.239264495548737e-02  61    5  105
-   55  5.327643670096720e-02  5.221342060569773e-02  3.242388384426916e-02  61    5  105
-   56  5.221342060569773e-02  6.119509641455161e-02  3.245144550640932e-02  61    5  105
-   57  6.119509641455161e-02  6.902801155300395e-02  3.247260935342249e-02  61    5  105
-   58  1.698526306192734e-02  1.698526306192734e-02  3.247810457245497e-02  61   15  315
-   59  1.698526306192734e-02  5.325036736883956e-02  3.248298741424058e-02  61    5  105
-   60  5.325036736883956e-02  6.413589159708979e-02  3.249622373085292e-02  61    5  105
-   61  1.603397289927245e-02  1.603397289927245e-02  3.249947624067350e-02  61   10  210
-   62  1.603397289927245e-02  4.028511063251124e-02  3.250248665714761e-02  61    5  105
-   63  1.007127765812781e-02  1.007127765812781e-02  3.250425876038111e-02  61    6  126
-   64  1.007127765812781e-02  2.014255531625573e-02  3.250595095364737e-02  61    5  100
-   65  2.014255531625573e-02  2.014255531625573e-02  3.250909359584335e-02  61    5  105
+    5  2.903217521168818e-04  6.126068069778898e-04  2.459838644186664e-04  21    5   25
+    6  6.126068069778898e-04  9.290787020628659e-04  7.144322430964959e-04  21    5   32
+    7  9.290787020628659e-04  1.489561505368306e-03  1.379420423280460e-03  21    5   35
+    8  1.489561505368306e-03  2.325159614097548e-03  2.469259985973726e-03  23    5   52
+    9  2.325159614097548e-03  3.361999740396916e-03  4.371341102713385e-03  25    5   57
+   10  3.361999740396916e-03  6.201055294512209e-03  6.521135930410380e-03  25    5   54
+   11  6.201055294512209e-03  1.418650069539443e-02  9.936752057635235e-03  25    5   67
+   12  1.418650069539443e-02  2.333213441555008e-02  1.585365842114031e-02  31    5  105
+   13  2.333213441555008e-02  4.406570962019823e-02  2.310185354591553e-02  35    5  105
+   14  2.008717179820959e-02  2.008717179820959e-02  2.619889986889061e-02  39   10  210
+   15  8.346522811620464e-03  7.516706023047939e-03  2.618935131509393e-02  45   10  210
+   16  7.516706023047939e-03  1.495982035074134e-02  2.605945023323194e-02  49    5  105
+   17  1.111835094428806e-02  1.043206929750673e-02  2.680310543767818e-02  51   10  210
+   18  1.043206929750673e-02  1.509912815975813e-02  2.757588323574690e-02  51    5  105
+   19  2.230665125977254e-03  2.230665125977254e-03  2.882948365478040e-02  55   15  315
+   20  2.230665125977254e-03  1.531517453472657e-02  2.897539770462856e-02  55    5  103
+   21  1.531517453472657e-02  1.649126444481822e-02  2.983825560863861e-02  55    5  105
+   22  9.196187820414967e-03  9.196187820414967e-03  2.946262498296182e-02  60   10  210
+   23  9.196187820414967e-03  3.036135590208354e-02  2.934957847587715e-02  62    5  105
+   24  3.036135590208354e-02  2.824109528142596e-02  3.019083663918624e-02  62    5  105
+   25  5.767357365903751e-03  5.767357365903751e-03  3.031100857768801e-02  62   15  315
+   26  5.767357365903751e-03  3.181338676737989e-02  3.042185345764588e-02  62    5  105
+   27  3.181338676737989e-02  4.544743555056333e-02  3.089848026181038e-02  62    5  105
+   28  1.136185888764083e-02  1.136185888764083e-02  3.102713583604160e-02  62    6  126
+   29  1.136185888764083e-02  1.101971236076085e-02  3.111573737276951e-02  62    5  105
+   30  1.101971236076085e-02  2.032915619754837e-02  3.121556348208696e-02  62    5  105
+   31  1.810888029400946e-02  1.810888029400946e-02  3.135670708815374e-02  62   10  210
+   32  1.810888029400946e-02  2.234029750896407e-02  3.148115671516088e-02  62    5  105
+   33  2.234029750896407e-02  2.889109188475510e-02  3.160878025037404e-02  62    5  105
+   34  2.889109188475510e-02  3.120042409187010e-02  3.173412977265944e-02  62    5  105
+   35  7.800106022967526e-03  7.800106022967526e-03  3.176464043664869e-02  62    8  168
+   36  7.800106022967526e-03  3.170037066227539e-02  3.179375653346459e-02  62    5  105
+   37  3.170037066227539e-02  3.787213092748833e-02  3.189887295603718e-02  62    5  105
+   38  2.837355332913126e-02  2.837355332913126e-02  3.197801883167253e-02  62   10  210
+   39  2.837355332913126e-02  3.278446668151765e-02  3.204779178298942e-02  62    5  105
+   40  3.278446668151765e-02  3.020564177204807e-02  3.211240653324073e-02  62    5  105
+   41  7.551410443012017e-03  7.551410443012017e-03  3.212626059266561e-02  62    8  168
+   42  7.551410443012017e-03  9.178102815962437e-03  3.213890913006593e-02  62    5  105
+   43  9.178102815962437e-03  1.649464282378404e-02  3.215471668066559e-02  62    5  105
+   44  1.649464282378404e-02  2.602185028814931e-02  3.218133771973418e-02  62    5  105
+   45  1.713665707473882e-02  1.713665707473882e-02  3.220690702186930e-02  62   10  210
+   46  1.713665707473882e-02  3.530352717263601e-02  3.223040887486339e-02  62    5  105
+   47  8.825881793159003e-03  8.825881793159003e-03  3.224177338005089e-02  62    8  168
+   48  8.825881793159003e-03  2.586353802027211e-02  3.225265894426493e-02  62    5  105
+   49  2.586353802027211e-02  3.291894174702289e-02  3.228169996973265e-02  62    5  105
+   50  3.291894174702289e-02  4.048834834381512e-02  3.231625687442660e-02  62    5  105
+   51  4.048834834381512e-02  6.688543998612889e-02  3.235083603511235e-02  62    5  105
+   52  6.688543998612889e-02  6.955316324211452e-02  3.239371035449163e-02  62    5  105
+   53  6.955316324211452e-02  6.790707004153698e-02  3.243064328586971e-02  62    5  105
+   54  1.697676751038425e-02  1.697676751038425e-02  3.243617411633083e-02  62    9  189
+   55  1.697676751038425e-02  3.162563349768197e-02  3.244133298132829e-02  62    5  105
+   56  3.162563349768197e-02  4.821561406413451e-02  3.245001080654254e-02  62    5  105
+   57  4.821561406413451e-02  7.764755023495810e-02  3.246092238823795e-02  62    5  105
+   58  1.941188755873953e-02  1.941188755873953e-02  3.246445882359153e-02  62    6  126
+   59  1.941188755873953e-02  3.882377511747900e-02  3.246778727298686e-02  62    5  105
+   60  3.882377511747900e-02  3.882377511747900e-02  3.247351310624037e-02  62    5  105
  ----------------------------------------------------------------------------------------
  Final solver statistics:
-   Total number of time steps = 65
-   Total nonlinear iterations = 433
-   Total linear iterations    = 8275
+   Total number of time steps = 60
+   Total nonlinear iterations = 370
+   Total linear iterations    = 6972
 

include/arkode/arkode_lsrkstep.h

@@ -93,6 +93,9 @@ SUNDIALS_EXPORT int LSRKStepSetMaxNumStages(void* arkode_mem,
 SUNDIALS_EXPORT int LSRKStepSetDomEigSafetyFactor(void* arkode_mem,
                                                   sunrealtype dom_eig_safety);
 
+SUNDIALS_EXPORT int LSRKStepSetUseEllipseForStability(void* arkode_mem,
+                                                      sunbooleantype use_ellipse);
+
 SUNDIALS_EXPORT int LSRKStepSetNumDomEigEstInitPreprocessIters(void* arkode_mem,
                                                                int num_iters);
 

include/sundomeigest/sundomeigest_arnoldi.h

@@ -45,9 +45,11 @@ struct SUNDomEigEstimatorContent_Arnoldi_
   N_Vector* V;
   N_Vector q;
 
-  int kry_dim;        /* Krylov subspace dimension */
-  int num_warmups;    /* Number of preprocessing iterations */
-  long int num_iters; /* Number of iterations in last Estimate call */
+  int kry_dim;                  /* Krylov subspace dimension */
+  int num_warmups;              /* Number of preprocessing iterations */
+  long int num_iters;           /* Number of iterations in last Estimate call */
+  sunbooleantype warmup_to_tol; /* Type of warmup iterations */
+  sunrealtype tol_preprocess;   /* Tolerance for preprocessing iterations */
 
   long int num_ATimes; /* Number of ATimes calls */
 
@@ -79,6 +81,10 @@ SUNDIALS_EXPORT
 SUNErrCode SUNDomEigEstimator_SetNumPreprocessIters_Arnoldi(SUNDomEigEstimator DEE,
                                                             int num_iters);
 
+SUNDIALS_EXPORT
+SUNErrCode SUNDomEigEstimator_SetTolPreprocessIters_Arnoldi(SUNDomEigEstimator DEE,
+                                                            sunrealtype tol);
+
 SUNDIALS_EXPORT
 SUNErrCode SUNDomEigEstimator_SetInitialGuess_Arnoldi(SUNDomEigEstimator DEE,
                                                       N_Vector q);