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Bugfix: CVODE(S) Inequality Constraints #67

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Bugfix: CVODE(S) Inequality Constraints #67

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7090298
update outputs
gardner48 Oct 20, 2025
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update logging output
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update ida fortran output
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvRoberts_dns.out
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Expand Up @@ -23,6 +23,7 @@ Current time = 41154661313.5995
Steps = 542
Error test fails = 22
NLS step fails = 0
Constraint fails = 0
Initial step size = 8.2362598325895e-14
Last step size = 4747036977.21916
Current step size = 4747036977.21916
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6 changes: 3 additions & 3 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvRoberts_dns_constraints.out
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Expand Up @@ -16,9 +16,9 @@ At t = 1.9803e+07 y = 1.000000e-04 4.000711e-10 9.999000e-01
At t = 4.0000e+07 y = 4.771761e-05 1.908795e-10 9.999523e-01
At t = 4.0000e+08 y = 3.609703e-06 1.443908e-11 9.999964e-01
At t = 4.0000e+09 y = 8.899199e-07 3.559685e-12 9.999991e-01
At t = 4.0000e+10 y = 6.352101e-08 2.540841e-13 1.000000e+00
At t = 4.0000e+10 y = 8.819269e-09 3.527711e-14 1.000000e+00

Final Statistics:
nst = 399 nfe = 567 nsetups = 98 nfeLS = 0 nje = 12
nni = 564 nnf = 6 netf = 15 ncfn = 2 nge = 429
nst = 399 nfe = 567 nsetups = 99 nfeLS = 0 nje = 12
nni = 564 nnf = 6 netf = 15 ncfn = 1 nge = 429

1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_kpr.out
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Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_kpr_cvode.init_step_0.01.out
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Expand Up @@ -16,6 +16,7 @@ Current time = 10.0020756826936
Steps = 1572
Error test fails = 144
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.01
Last step size = 0.00671233385398068
Current step size = 0.00671233385398068
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_kpr.out
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Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_kpr_--dgmax_jbad_1.0.out
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Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_kpr_--dgmax_lsetup_0.0.out
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Original file line number Diff line number Diff line change
Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_kpr_--eta_cf_0.5.out
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Original file line number Diff line number Diff line change
Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_kpr_--eta_max_ef_0.1_--small_nef_1.out
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Expand Up @@ -16,6 +16,7 @@ Current time = 10.0042537237419
Steps = 2329
Error test fails = 209
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00604072055819684
Current step size = 0.0111992955674022
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_kpr_--eta_max_fs_2.out
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Original file line number Diff line number Diff line change
Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_kpr_--eta_min_ef_0.5.out
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Expand Up @@ -16,6 +16,7 @@ Current time = 10.0020363857859
Steps = 1593
Error test fails = 152
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00671229713796607
Current step size = 0.00671229713796607
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_kpr_--eta_min_es_2_--small_nst_5.out
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Original file line number Diff line number Diff line change
Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_kpr_--eta_min_fx_1.0_--eta_max_fx_2.0.out
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Expand Up @@ -16,6 +16,7 @@ Current time = 10.0041819851769
Steps = 1687
Error test fails = 35
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00509332198423145
Current step size = 0.00509332198423145
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_kpr_--eta_min_fx_1.0_--eta_min_0.5.out
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Expand Up @@ -16,6 +16,7 @@ Current time = 10.003389052599
Steps = 1645
Error test fails = 69
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00540535066597559
Current step size = 0.00540535066597559
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_kpr_--eta_min_gs_2.out
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Original file line number Diff line number Diff line change
Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_resize_history_0_1_0.out
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Expand Up @@ -1002,6 +1002,7 @@ Current time = 16.1204764743997
Steps = 60
Error test fails = 3
NLS step fails = 0
Constraint fails = 0
Initial step size = 3.4322590648825e-10
Last step size = 1.60373383574309
Current step size = 1.60373383574309
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_resize_history_0_1_1.out
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Expand Up @@ -1022,6 +1022,7 @@ Current time = 15.2594487094113
Steps = 60
Error test fails = 4
NLS step fails = 0
Constraint fails = 0
Initial step size = 3.4322590648825e-10
Last step size = 1.13398297673928
Current step size = 1.13398297673928
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_resize_history_0_2_0.out
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Expand Up @@ -988,6 +988,7 @@ Current time = 5.47573958671903
Steps = 60
Error test fails = 4
NLS step fails = 0
Constraint fails = 0
Initial step size = 3.4322590648825e-10
Last step size = 0.299103535001545
Current step size = 0.489453788934683
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_resize_history_0_2_1.out
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Expand Up @@ -1004,6 +1004,7 @@ Current time = 5.18178259905794
Steps = 60
Error test fails = 1
NLS step fails = 0
Constraint fails = 0
Initial step size = 3.4322590648825e-10
Last step size = 0.272726808286758
Current step size = 0.272726808286758
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_resize_history_1_1_0.out
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Expand Up @@ -1016,6 +1016,7 @@ Current time = 15.3469462075694
Steps = 60
Error test fails = 3
NLS step fails = 0
Constraint fails = 0
Initial step size = 3.4322590648825e-10
Last step size = 1.65637320123969
Current step size = 1.65637320123969
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_resize_history_1_1_1.out
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Expand Up @@ -1032,6 +1032,7 @@ Current time = 14.7054761468699
Steps = 60
Error test fails = 2
NLS step fails = 0
Constraint fails = 0
Initial step size = 3.4322590648825e-10
Last step size = 1.20029549663785
Current step size = 1.20029549663785
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_resize_history_1_2_0.out
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Expand Up @@ -1024,6 +1024,7 @@ Current time = 5.57529591526417
Steps = 60
Error test fails = 5
NLS step fails = 0
Constraint fails = 0
Initial step size = 3.4322590648825e-10
Last step size = 0.214648738972365
Current step size = 0.214648738972365
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_resize_history_1_2_1.out
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Expand Up @@ -1012,6 +1012,7 @@ Current time = 6.71737214677786
Steps = 60
Error test fails = 3
NLS step fails = 0
Constraint fails = 0
Initial step size = 3.4322590648825e-10
Last step size = 0.390312270036302
Current step size = 0.390312270036302
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_resize_history_2_1_0.out
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Expand Up @@ -10588,6 +10588,7 @@ Current time = 15.3469462117914
Steps = 60
Error test fails = 3
NLS step fails = 0
Constraint fails = 0
Initial step size = 3.4322590648825e-10
Last step size = 1.65637320334863
Current step size = 1.65637320334863
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_resize_history_2_1_1.out
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Expand Up @@ -11335,6 +11335,7 @@ Current time = 14.7054761466723
Steps = 60
Error test fails = 2
NLS step fails = 0
Constraint fails = 0
Initial step size = 3.4322590648825e-10
Last step size = 1.2002954966297
Current step size = 1.2002954966297
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_resize_history_2_2_0.out
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Expand Up @@ -10620,6 +10620,7 @@ Current time = 5.57529591526417
Steps = 60
Error test fails = 5
NLS step fails = 0
Constraint fails = 0
Initial step size = 3.4322590648825e-10
Last step size = 0.214648738972365
Current step size = 0.214648738972365
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cv_test_resize_history_2_2_1.out
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Expand Up @@ -10468,6 +10468,7 @@ Current time = 6.71737214635592
Steps = 60
Error test fails = 3
NLS step fails = 0
Constraint fails = 0
Initial step size = 3.4322590648825e-10
Last step size = 0.390312269951915
Current step size = 0.390312269951915
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3 changes: 3 additions & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvsRoberts_ASAi_dns.out
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Expand Up @@ -22,6 +22,7 @@ Current time = 40090396.3826207
Steps = 766
Error test fails = 37
NLS step fails = 0
Constraint fails = 0
Initial step size = 4.71216091538724e-10
Last step size = 2056516.13949278
Current step size = 2056516.13949278
Expand Down Expand Up @@ -69,6 +70,7 @@ Current time = 0
Steps = 212
Error test fails = 1
NLS step fails = 0
Constraint fails = 0
Initial step size = -9.42432183077448e-08
Last step size = -3.81469379137733
Current step size = -3.81469379137733
Expand Down Expand Up @@ -116,6 +118,7 @@ Current time = 0
Steps = 186
Error test fails = 13
NLS step fails = 0
Constraint fails = 0
Initial step size = -5.13242440950754e-10
Last step size = -0.000269120502511965
Current step size = -0.000269120502511965
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10 changes: 5 additions & 5 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvsRoberts_ASAi_dns_constraints.out
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Expand Up @@ -12,7 +12,7 @@ Find dG/dp for


Create and allocate CVODES memory for forward runs
Forward integration ... done ( nst = 303 )
Forward integration ... done ( nst = 300 )

ncheck = 2

Expand All @@ -26,16 +26,16 @@ Backward integration from tB0 = 4.0000e+07
--------------------------------------------------------
returned t: 4.0000e+01
tout: 4.0000e+01
lambda(t): 3.9953e+07 3.9953e+07 3.9953e+07
lambda(t): 3.9934e+07 3.9934e+07 3.9934e+07
y(t): 7.1588e-01 9.1883e-06 2.8411e-01
--------------------------------------------------------

Done ( nst = 161 )
Done ( nst = 242 )
--------------------------------------------------------
returned t: 0.0000e+00
lambda(t0): 3.9953e+07 3.9953e+07 3.9953e+07
lambda(t0): 3.9934e+07 3.9934e+07 3.9934e+07
y(t0): 1.0000e+00 0.0000e+00 0.0000e+00
dG/dp: 1.1166e+06 -4.4617e+00 7.4511e-04
dG/dp: 1.5478e+06 -6.1876e+00 1.0315e-03
--------------------------------------------------------

Re-initialize CVODES memory for backward run
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvsRoberts_FSA_dns_-sensi_sim_t.out
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Expand Up @@ -83,6 +83,7 @@ Current time = 43900558490.1758
Steps = 818
Error test fails = 28
NLS step fails = 2
Constraint fails = 0
Initial step size = 8.2362598325895e-14
Last step size = 7184239983.51319
Current step size = 7184239983.51319
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvsRoberts_FSA_dns_-sensi_stg1_t.out
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Expand Up @@ -83,6 +83,7 @@ Current time = 41016872194.6157
Steps = 930
Error test fails = 0
NLS step fails = 0
Constraint fails = 0
Initial step size = 8.2362598325895e-14
Last step size = 1236651497.95896
Current step size = 1236651497.95896
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28 changes: 14 additions & 14 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvsRoberts_FSA_dns_constraints_-sensi_stg1_t.out
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@drreynolds drreynolds Oct 20, 2025

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I like how this example clearly shows the performance improvement from using the prior solution when computing the step size reduction factor.

Original file line number Diff line number Diff line change
Expand Up @@ -65,23 +65,23 @@ Sensitivity: YES ( STAGGERED1 + FULL ERROR CONTROL )
Sensitivity 2 1.0579e-09 2.1593e-15 -1.0579e-09
Sensitivity 3 -1.7315e-13 -6.9261e-19 1.7315e-13
-----------------------------------------------------------------------
4.000e+09 1 1.312e+09 775
Solution 4.0287e-07 1.6115e-12 1.0000e+00
Sensitivity 1 -6.0170e-05 -2.0039e-10 6.0170e-05
Sensitivity 2 1.5483e-10 4.5817e-16 -1.5483e-10
Sensitivity 3 -1.3176e-15 -5.2706e-21 1.3176e-15
4.000e+09 1 1.036e+09 775
Solution 4.2606e-07 1.7042e-12 1.0000e+00
Sensitivity 1 -5.3169e-05 -1.7007e-10 5.3169e-05
Sensitivity 2 1.6832e-10 5.0286e-16 -1.6832e-10
Sensitivity 3 -4.5154e-15 -1.8061e-20 4.5154e-15
-----------------------------------------------------------------------
4.000e+10 2 3.888e+09 785
Solution 3.8703e-08 1.5481e-13 1.0000e+00
Sensitivity 1 -1.1234e-07 3.4209e-12 1.1234e-07
Sensitivity 2 2.8598e-11 9.8909e-17 -2.8598e-11
Sensitivity 3 -1.3904e-15 -5.5617e-21 1.3904e-15
4.000e+10 1 2.182e+10 783
Solution 7.5745e-08 3.0298e-13 1.0000e+00
Sensitivity 1 -4.4284e-06 -1.0139e-11 4.4284e-06
Sensitivity 2 2.0111e-11 5.0145e-17 -2.0111e-11
Sensitivity 3 -2.0597e-15 -8.2387e-21 2.0597e-15
-----------------------------------------------------------------------

Final Statistics:
nst = 785 nfe = 1823 nsetups = 181 nfeLS = 0 nje = 18
nni = 964 nnf = 2 netf = 0 ncfn = 4
nst = 783 nfe = 1812 nsetups = 184 nfeLS = 0 nje = 15
nni = 955 nnf = 0 netf = 0 ncfn = 0

nfSe = 3153 nfeS = 0 nsetupsS = 0
nniS = 3144 nnfS = 0 netfS = 71 ncfnS = 0
nfSe = 3144 nfeS = 0 nsetupsS = 0
nniS = 3135 nnfS = 0 netfS = 71 ncfnS = 0

1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvsRoberts_dns.out
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Expand Up @@ -23,6 +23,7 @@ Current time = 41154661313.5995
Steps = 542
Error test fails = 22
NLS step fails = 0
Constraint fails = 0
Initial step size = 8.2362598325895e-14
Last step size = 4747036977.21916
Current step size = 4747036977.21916
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6 changes: 3 additions & 3 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvsRoberts_dns_constraints.out
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Original file line number Diff line number Diff line change
Expand Up @@ -16,9 +16,9 @@ At t = 1.9803e+07 y = 1.000000e-04 4.000711e-10 9.999000e-01
At t = 4.0000e+07 y = 4.771761e-05 1.908795e-10 9.999523e-01
At t = 4.0000e+08 y = 3.609703e-06 1.443908e-11 9.999964e-01
At t = 4.0000e+09 y = 8.899199e-07 3.559685e-12 9.999991e-01
At t = 4.0000e+10 y = 6.352101e-08 2.540841e-13 1.000000e+00
At t = 4.0000e+10 y = 8.819269e-09 3.527711e-14 1.000000e+00

Final Statistics:
nst = 399 nfe = 567 nsetups = 98 nfeLS = 0 nje = 12
nni = 564 nnf = 6 netf = 15 ncfn = 2 nge = 429
nst = 399 nfe = 567 nsetups = 99 nfeLS = 0 nje = 12
nni = 564 nnf = 6 netf = 15 ncfn = 1 nge = 429

1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvs_test_kpr.out
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Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvs_test_kpr_--dgmax_jbad_1.0.out
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Original file line number Diff line number Diff line change
Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvs_test_kpr_--dgmax_lsetup_0.0.out
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Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvs_test_kpr_--eta_cf_0.5.out
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Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvs_test_kpr_--eta_max_ef_0.1_--small_nef_1.out
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Expand Up @@ -16,6 +16,7 @@ Current time = 10.0042537237419
Steps = 2329
Error test fails = 209
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00604072055819684
Current step size = 0.0111992955674022
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1 change: 1 addition & 0 deletions linux-ubuntu20.04-x86_64/gcc-9.4.0/double/cvs_test_kpr_--eta_max_fs_2.out
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Original file line number Diff line number Diff line change
Expand Up @@ -16,6 +16,7 @@ Current time = 10.0013681010296
Steps = 1577
Error test fails = 147
NLS step fails = 0
Constraint fails = 0
Initial step size = 0.000102986025609508
Last step size = 0.00638360784190842
Current step size = 0.00638360784190842
Expand Down
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