Remove solver_.parameters_ #668

montythind · 2024-09-24T22:41:45Z

This PR includes moving Parameters
absolute tolerance and relative tolearnce to state from solver

Note:
I have left
std::vector absolute_tolerance_;
double relative_tolerance_{ 1e-6 };

in rosenbrock_solver_prarameter.hpp as the CUDA tests are failing because tolerance doesnt get copied over to the device. Issue occurs in CudaRosenbrockSolver constructor when doing this->parameters_.absolute_tolerance_.size(); it comes out as zero

We can potential get rid of this line in solver_builder.inl. This is also a temporary. solution.
options.absolute_tolerance_ = state_parameters.absolute_tolerance_;

Along with that i have commented out unit tests till we don't have a solution how to deal with tolerance.

closes #621

montythind · 2024-09-24T22:45:37Z

I do see some calls where solver.solver_.parameters_ is not being modifiedbut rather the value is getting used. Example:

EXPECT_EQ(solver.solver_.parameters_.absolute_tolerance_[state.variable_map_["Ar"]], 1.0e-12);
std::vector atol = gpu_solver.solver_.parameters_.absolute_tolerance_;

I am unsure if we need to change these as well?

@K20shores @mattldawson

codecov-commenter · 2024-09-24T22:58:39Z

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 93.56%. Comparing base (9c93671) to head (bacb558).
Report is 4 commits behind head on main.

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #668      +/-   ##
==========================================
+ Coverage   93.19%   93.56%   +0.37%     
==========================================
  Files          53       53              
  Lines        3586     3607      +21     
==========================================
+ Hits         3342     3375      +33     
+ Misses        244      232      -12

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K20shores

Right direction, but we still have some more work to do. Any mechanism-specific thing (like tolerances) need to be moved somewhere else. We should spend some time figuring out where they need to go. Also, the parameters need to be any set of paramters (rosenbrock, backward euler, etc.)

include/micm/solver/solver.hpp

sjsprecious

Thanks @montythind for working on this PR. I observed the following failures on Derecho:

         15 - cuda_rosenbrock (SEGFAULT)
         31 - rosenbrock (SEGFAULT)
         45 - regression_test_solve (NUMERICAL)
         46 - chapman_integration (SEGFAULT)
         47 - analytical_rosenbrock_integration (NUMERICAL)
         48 - analytical_backward_euler (NUMERICAL)
         49 - terminator (NUMERICAL)
         50 - integrated_reaction_rates (NUMERICAL)
         52 - README_example (NUMERICAL)
         53 - solve_results (NUMERICAL)
         54 - multiple_grid_cells (NUMERICAL)
         55 - rate_constants_no_user_defined_example_by_hand (NUMERICAL)
         56 - rate_constants_user_defined_example_by_hand (NUMERICAL)
         57 - solver_configuration (NUMERICAL)
         59 - rate_constants_no_user_defined_example_with_config (NUMERICAL)
         60 - rate_constants_user_defined_example_with_config (NUMERICAL)
         61 - carbon_bond_5_example (NUMERICAL)
         62 - chapman_example (NUMERICAL)
         63 - robertson_example (NUMERICAL)
         64 - ts1_example (NUMERICAL)

test/unit/cuda/solver/test_cuda_solver_builder.cpp

include/micm/solver/rosenbrock_solver_parameters.hpp

montythind · 2024-10-17T17:14:05Z

I am not sure what happened but after my latest pull and merge- lot of tests failed. I am looking what caused the test failures

K20shores · 2024-11-11T14:54:45Z

@sjsprecious we've addressed some of your comments. Also, here is the timing of the cuda tests:

Test project /glade/u/home/kshores/micm/build
      Start  1: solver_config
 1/64 Test  #1: solver_config ........................................   Passed    0.09 sec
      Start  2: arrhenius_config
 2/64 Test  #2: arrhenius_config .....................................   Passed    0.07 sec
      Start  3: branched_config
 3/64 Test  #3: branched_config ......................................   Passed    0.07 sec
      Start  4: emission_config
 4/64 Test  #4: emission_config ......................................   Passed    0.04 sec
      Start  5: first_order_loss_config
 5/64 Test  #5: first_order_loss_config ..............................   Passed    0.03 sec
      Start  6: photolysis_config
 6/64 Test  #6: photolysis_config ....................................   Passed    0.04 sec
      Start  7: surface_config
 7/64 Test  #7: surface_config .......................................   Passed    0.04 sec
      Start  8: ternary_chemical_activation_config
 8/64 Test  #8: ternary_chemical_activation_config ...................   Passed    0.04 sec
      Start  9: troe_config
 9/64 Test  #9: troe_config ..........................................   Passed    0.05 sec
      Start 10: tunneling_config
10/64 Test #10: tunneling_config .....................................   Passed    0.03 sec
      Start 11: user_defined_config
11/64 Test #11: user_defined_config ..................................   Passed    0.04 sec
      Start 12: cuda_process_set
12/64 Test #12: cuda_process_set .....................................   Passed   52.45 sec
      Start 13: cuda_lu_decomposition
13/64 Test #13: cuda_lu_decomposition ................................   Passed  215.07 sec
      Start 14: cuda_linear_solver
14/64 Test #14: cuda_linear_solver ...................................   Passed   15.42 sec
      Start 15: cuda_rosenbrock
15/64 Test #15: cuda_rosenbrock ......................................   Passed    8.16 sec
      Start 16: cuda_solver_builder
16/64 Test #16: cuda_solver_builder ..................................   Passed    0.42 sec
      Start 17: cuda_dense_matrix
17/64 Test #17: cuda_dense_matrix ....................................   Passed    0.43 sec
      Start 18: cuda_sparse_matrix
18/64 Test #18: cuda_sparse_matrix ...................................   Passed    0.41 sec
      Start 19: process
19/64 Test #19: process ..............................................   Passed    0.02 sec
      Start 20: process_set
20/64 Test #20: process_set ..........................................   Passed    0.14 sec
      Start 21: arrhenius_rate_constant
21/64 Test #21: arrhenius_rate_constant ..............................   Passed    0.01 sec
      Start 22: branched_rate_constant
22/64 Test #22: branched_rate_constant ...............................   Passed    0.01 sec
      Start 23: surface_rate_constant
23/64 Test #23: surface_rate_constant ................................   Passed    0.06 sec
      Start 24: ternary_chemical_activation_rate_constant
24/64 Test #24: ternary_chemical_activation_rate_constant ............   Passed    0.01 sec
      Start 25: troe_rate_constant
25/64 Test #25: troe_rate_constant ...................................   Passed    0.01 sec
      Start 26: tunneling_rate_constant
26/64 Test #26: tunneling_rate_constant ..............................   Passed    0.01 sec
      Start 27: user_defined_rate_constant
27/64 Test #27: user_defined_rate_constant ...........................   Passed    0.02 sec
      Start 28: chapman_ode_solver
28/64 Test #28: chapman_ode_solver ...................................   Passed    0.01 sec
      Start 29: linear_solver
29/64 Test #29: linear_solver ........................................   Passed    0.96 sec
      Start 30: lu_decomposition
30/64 Test #30: lu_decomposition .....................................   Passed    0.10 sec
      Start 31: rosenbrock
31/64 Test #31: rosenbrock ...........................................   Passed    0.03 sec
      Start 32: state
32/64 Test #32: state ................................................   Passed    0.02 sec
      Start 33: backward_euler
33/64 Test #33: backward_euler .......................................   Passed    0.03 sec
      Start 34: solver_builder
34/64 Test #34: solver_builder .......................................   Passed    0.02 sec
      Start 35: phase
35/64 Test #35: phase ................................................   Passed    0.01 sec
      Start 36: species
36/64 Test #36: species ..............................................   Passed    0.01 sec
      Start 37: system
37/64 Test #37: system ...............................................   Passed    0.01 sec
      Start 38: matrix
38/64 Test #38: matrix ...............................................   Passed    0.01 sec
      Start 39: sparse_matrix_standard_ordering
39/64 Test #39: sparse_matrix_standard_ordering ......................   Passed    0.01 sec
      Start 40: sparse_matrix_vector_ordering
40/64 Test #40: sparse_matrix_vector_ordering ........................   Passed    0.01 sec
      Start 41: vector_matrix
41/64 Test #41: vector_matrix ........................................   Passed    0.01 sec
      Start 42: version
42/64 Test #42: version ..............................................   Passed    0.01 sec
      Start 43: regression_test_rosenbrock_p_force
43/64 Test #43: regression_test_rosenbrock_p_force ...................   Passed    0.03 sec
      Start 44: regression_test_rosenbrock_dforce_dy
44/64 Test #44: regression_test_rosenbrock_dforce_dy .................   Passed    0.02 sec
      Start 45: regression_test_solve
45/64 Test #45: regression_test_solve ................................   Passed    0.04 sec
      Start 46: chapman_integration
46/64 Test #46: chapman_integration ..................................   Passed    0.09 sec
      Start 47: analytical_rosenbrock_integration
47/64 Test #47: analytical_rosenbrock_integration ....................   Passed   34.77 sec
      Start 48: analytical_backward_euler
48/64 Test #48: analytical_backward_euler ............................   Passed    2.53 sec
      Start 49: terminator
49/64 Test #49: terminator ...........................................   Passed    3.61 sec
      Start 50: integrated_reaction_rates
50/64 Test #50: integrated_reaction_rates ............................   Passed    0.03 sec
      Start 51: cuda_analytical_rosenbrock_integration
51/64 Test #51: cuda_analytical_rosenbrock_integration ...............   Passed  244.41 sec
      Start 52: README_example
52/64 Test #52: README_example .......................................   Passed    0.01 sec
      Start 53: solve_results
53/64 Test #53: solve_results ........................................   Passed    0.02 sec
      Start 54: multiple_grid_cells
54/64 Test #54: multiple_grid_cells ..................................   Passed    0.02 sec
      Start 55: rate_constants_no_user_defined_example_by_hand
55/64 Test #55: rate_constants_no_user_defined_example_by_hand .......   Passed    0.02 sec
      Start 56: rate_constants_user_defined_example_by_hand
56/64 Test #56: rate_constants_user_defined_example_by_hand ..........   Passed    0.01 sec
      Start 57: solver_configuration
57/64 Test #57: solver_configuration .................................   Passed    0.02 sec
      Start 58: vectorized_matrix_solver
58/64 Test #58: vectorized_matrix_solver .............................   Passed    0.01 sec
      Start 59: rate_constants_no_user_defined_example_with_config
59/64 Test #59: rate_constants_no_user_defined_example_with_config ...   Passed    0.03 sec
      Start 60: rate_constants_user_defined_example_with_config
60/64 Test #60: rate_constants_user_defined_example_with_config ......   Passed    0.03 sec
      Start 61: carbon_bond_5_example
61/64 Test #61: carbon_bond_5_example ................................   Passed    0.46 sec
      Start 62: chapman_example
62/64 Test #62: chapman_example ......................................   Passed    0.02 sec
      Start 63: robertson_example
63/64 Test #63: robertson_example ....................................   Passed    0.01 sec
      Start 64: ts1_example
64/64 Test #64: ts1_example ..........................................   Passed    6.43 sec

sjsprecious

Thanks @K20shores for working on this giant PR. It looks good to me and I just have a few minor questions.

include/micm/cuda/solver/cuda_state.hpp

sjsprecious · 2024-11-11T16:44:59Z

include/micm/cuda/solver/cuda_state.hpp

+      absolute_tolerance_param_.number_of_elements_ = this->absolute_tolerance_.size();
+      absolute_tolerance_param_.number_of_grid_cells_ = 1;
+
+      CHECK_CUDA_ERROR(micm::cuda::MallocVector<double>(absolute_tolerance_param_, absolute_tolerance_param_.number_of_elements_), "cudaMalloc");
+      CHECK_CUDA_ERROR(micm::cuda::CopyToDevice<double>(absolute_tolerance_param_, this->absolute_tolerance_), "cudaMemcpyHostToDevice");


After a second thought, shall we copy the absolute tolerance in the constructor or somewhere instead? The variables_ and rate_constants_ are changed every time step but the absolute_tolerance_param_ is not. Thus we should only need to copy it once.

Anyt ideas where else we can copy these in?

I think we can do it in the constructor of CudaState here: https://github.com/NCAR/micm/blob/main/include/micm/cuda/solver/cuda_state.hpp#L24-L25, assuming that the absolute_tolerance_param_ is already initialized properly.

Hi @montythind , I have pushed the changes needed to address this comment. Let me know if you have any questions about it.

include/micm/solver/state.hpp

sjsprecious · 2024-11-11T17:09:46Z

@sjsprecious we've addressed some of your comments. Also, here is the timing of the cuda tests:

Test project /glade/u/home/kshores/micm/build
      Start  1: solver_config
 1/64 Test  #1: solver_config ........................................   Passed    0.09 sec
      Start  2: arrhenius_config
 2/64 Test  #2: arrhenius_config .....................................   Passed    0.07 sec
      Start  3: branched_config
 3/64 Test  #3: branched_config ......................................   Passed    0.07 sec
      Start  4: emission_config
 4/64 Test  #4: emission_config ......................................   Passed    0.04 sec
      Start  5: first_order_loss_config
 5/64 Test  #5: first_order_loss_config ..............................   Passed    0.03 sec
      Start  6: photolysis_config
 6/64 Test  #6: photolysis_config ....................................   Passed    0.04 sec
      Start  7: surface_config
 7/64 Test  #7: surface_config .......................................   Passed    0.04 sec
      Start  8: ternary_chemical_activation_config
 8/64 Test  #8: ternary_chemical_activation_config ...................   Passed    0.04 sec
      Start  9: troe_config
 9/64 Test  #9: troe_config ..........................................   Passed    0.05 sec
      Start 10: tunneling_config
10/64 Test #10: tunneling_config .....................................   Passed    0.03 sec
      Start 11: user_defined_config
11/64 Test #11: user_defined_config ..................................   Passed    0.04 sec
      Start 12: cuda_process_set
12/64 Test #12: cuda_process_set .....................................   Passed   52.45 sec
      Start 13: cuda_lu_decomposition
13/64 Test #13: cuda_lu_decomposition ................................   Passed  215.07 sec
      Start 14: cuda_linear_solver
14/64 Test #14: cuda_linear_solver ...................................   Passed   15.42 sec
      Start 15: cuda_rosenbrock
15/64 Test #15: cuda_rosenbrock ......................................   Passed    8.16 sec
      Start 16: cuda_solver_builder
16/64 Test #16: cuda_solver_builder ..................................   Passed    0.42 sec
      Start 17: cuda_dense_matrix
17/64 Test #17: cuda_dense_matrix ....................................   Passed    0.43 sec
      Start 18: cuda_sparse_matrix
18/64 Test #18: cuda_sparse_matrix ...................................   Passed    0.41 sec
      Start 19: process
19/64 Test #19: process ..............................................   Passed    0.02 sec
      Start 20: process_set
20/64 Test #20: process_set ..........................................   Passed    0.14 sec
      Start 21: arrhenius_rate_constant
21/64 Test #21: arrhenius_rate_constant ..............................   Passed    0.01 sec
      Start 22: branched_rate_constant
22/64 Test #22: branched_rate_constant ...............................   Passed    0.01 sec
      Start 23: surface_rate_constant
23/64 Test #23: surface_rate_constant ................................   Passed    0.06 sec
      Start 24: ternary_chemical_activation_rate_constant
24/64 Test #24: ternary_chemical_activation_rate_constant ............   Passed    0.01 sec
      Start 25: troe_rate_constant
25/64 Test #25: troe_rate_constant ...................................   Passed    0.01 sec
      Start 26: tunneling_rate_constant
26/64 Test #26: tunneling_rate_constant ..............................   Passed    0.01 sec
      Start 27: user_defined_rate_constant
27/64 Test #27: user_defined_rate_constant ...........................   Passed    0.02 sec
      Start 28: chapman_ode_solver
28/64 Test #28: chapman_ode_solver ...................................   Passed    0.01 sec
      Start 29: linear_solver
29/64 Test #29: linear_solver ........................................   Passed    0.96 sec
      Start 30: lu_decomposition
30/64 Test #30: lu_decomposition .....................................   Passed    0.10 sec
      Start 31: rosenbrock
31/64 Test #31: rosenbrock ...........................................   Passed    0.03 sec
      Start 32: state
32/64 Test #32: state ................................................   Passed    0.02 sec
      Start 33: backward_euler
33/64 Test #33: backward_euler .......................................   Passed    0.03 sec
      Start 34: solver_builder
34/64 Test #34: solver_builder .......................................   Passed    0.02 sec
      Start 35: phase
35/64 Test #35: phase ................................................   Passed    0.01 sec
      Start 36: species
36/64 Test #36: species ..............................................   Passed    0.01 sec
      Start 37: system
37/64 Test #37: system ...............................................   Passed    0.01 sec
      Start 38: matrix
38/64 Test #38: matrix ...............................................   Passed    0.01 sec
      Start 39: sparse_matrix_standard_ordering
39/64 Test #39: sparse_matrix_standard_ordering ......................   Passed    0.01 sec
      Start 40: sparse_matrix_vector_ordering
40/64 Test #40: sparse_matrix_vector_ordering ........................   Passed    0.01 sec
      Start 41: vector_matrix
41/64 Test #41: vector_matrix ........................................   Passed    0.01 sec
      Start 42: version
42/64 Test #42: version ..............................................   Passed    0.01 sec
      Start 43: regression_test_rosenbrock_p_force
43/64 Test #43: regression_test_rosenbrock_p_force ...................   Passed    0.03 sec
      Start 44: regression_test_rosenbrock_dforce_dy
44/64 Test #44: regression_test_rosenbrock_dforce_dy .................   Passed    0.02 sec
      Start 45: regression_test_solve
45/64 Test #45: regression_test_solve ................................   Passed    0.04 sec
      Start 46: chapman_integration
46/64 Test #46: chapman_integration ..................................   Passed    0.09 sec
      Start 47: analytical_rosenbrock_integration
47/64 Test #47: analytical_rosenbrock_integration ....................   Passed   34.77 sec
      Start 48: analytical_backward_euler
48/64 Test #48: analytical_backward_euler ............................   Passed    2.53 sec
      Start 49: terminator
49/64 Test #49: terminator ...........................................   Passed    3.61 sec
      Start 50: integrated_reaction_rates
50/64 Test #50: integrated_reaction_rates ............................   Passed    0.03 sec
      Start 51: cuda_analytical_rosenbrock_integration
51/64 Test #51: cuda_analytical_rosenbrock_integration ...............   Passed  244.41 sec
      Start 52: README_example
52/64 Test #52: README_example .......................................   Passed    0.01 sec
      Start 53: solve_results
53/64 Test #53: solve_results ........................................   Passed    0.02 sec
      Start 54: multiple_grid_cells
54/64 Test #54: multiple_grid_cells ..................................   Passed    0.02 sec
      Start 55: rate_constants_no_user_defined_example_by_hand
55/64 Test #55: rate_constants_no_user_defined_example_by_hand .......   Passed    0.02 sec
      Start 56: rate_constants_user_defined_example_by_hand
56/64 Test #56: rate_constants_user_defined_example_by_hand ..........   Passed    0.01 sec
      Start 57: solver_configuration
57/64 Test #57: solver_configuration .................................   Passed    0.02 sec
      Start 58: vectorized_matrix_solver
58/64 Test #58: vectorized_matrix_solver .............................   Passed    0.01 sec
      Start 59: rate_constants_no_user_defined_example_with_config
59/64 Test #59: rate_constants_no_user_defined_example_with_config ...   Passed    0.03 sec
      Start 60: rate_constants_user_defined_example_with_config
60/64 Test #60: rate_constants_user_defined_example_with_config ......   Passed    0.03 sec
      Start 61: carbon_bond_5_example
61/64 Test #61: carbon_bond_5_example ................................   Passed    0.46 sec
      Start 62: chapman_example
62/64 Test #62: chapman_example ......................................   Passed    0.02 sec
      Start 63: robertson_example
63/64 Test #63: robertson_example ....................................   Passed    0.01 sec
      Start 64: ts1_example
64/64 Test #64: ts1_example ..........................................   Passed    6.43 sec

@K20shores The CUDA LU decomposition and process set tests seem to take lots of time than what I observed on Derecho. Are they running on Derecho or your local laptop?

K20shores · 2024-11-11T17:14:58Z

@sjsprecious we've addressed some of your comments. Also, here is the timing of the cuda tests:

Test project /glade/u/home/kshores/micm/build
      Start  1: solver_config
 1/64 Test  #1: solver_config ........................................   Passed    0.09 sec
      Start  2: arrhenius_config
 2/64 Test  #2: arrhenius_config .....................................   Passed    0.07 sec
      Start  3: branched_config
 3/64 Test  #3: branched_config ......................................   Passed    0.07 sec
      Start  4: emission_config
 4/64 Test  #4: emission_config ......................................   Passed    0.04 sec
      Start  5: first_order_loss_config
 5/64 Test  #5: first_order_loss_config ..............................   Passed    0.03 sec
      Start  6: photolysis_config
 6/64 Test  #6: photolysis_config ....................................   Passed    0.04 sec
      Start  7: surface_config
 7/64 Test  #7: surface_config .......................................   Passed    0.04 sec
      Start  8: ternary_chemical_activation_config
 8/64 Test  #8: ternary_chemical_activation_config ...................   Passed    0.04 sec
      Start  9: troe_config
 9/64 Test  #9: troe_config ..........................................   Passed    0.05 sec
      Start 10: tunneling_config
10/64 Test #10: tunneling_config .....................................   Passed    0.03 sec
      Start 11: user_defined_config
11/64 Test #11: user_defined_config ..................................   Passed    0.04 sec
      Start 12: cuda_process_set
12/64 Test #12: cuda_process_set .....................................   Passed   52.45 sec
      Start 13: cuda_lu_decomposition
13/64 Test #13: cuda_lu_decomposition ................................   Passed  215.07 sec
      Start 14: cuda_linear_solver
14/64 Test #14: cuda_linear_solver ...................................   Passed   15.42 sec
      Start 15: cuda_rosenbrock
15/64 Test #15: cuda_rosenbrock ......................................   Passed    8.16 sec
      Start 16: cuda_solver_builder
16/64 Test #16: cuda_solver_builder ..................................   Passed    0.42 sec
      Start 17: cuda_dense_matrix
17/64 Test #17: cuda_dense_matrix ....................................   Passed    0.43 sec
      Start 18: cuda_sparse_matrix
18/64 Test #18: cuda_sparse_matrix ...................................   Passed    0.41 sec
      Start 19: process
19/64 Test #19: process ..............................................   Passed    0.02 sec
      Start 20: process_set
20/64 Test #20: process_set ..........................................   Passed    0.14 sec
      Start 21: arrhenius_rate_constant
21/64 Test #21: arrhenius_rate_constant ..............................   Passed    0.01 sec
      Start 22: branched_rate_constant
22/64 Test #22: branched_rate_constant ...............................   Passed    0.01 sec
      Start 23: surface_rate_constant
23/64 Test #23: surface_rate_constant ................................   Passed    0.06 sec
      Start 24: ternary_chemical_activation_rate_constant
24/64 Test #24: ternary_chemical_activation_rate_constant ............   Passed    0.01 sec
      Start 25: troe_rate_constant
25/64 Test #25: troe_rate_constant ...................................   Passed    0.01 sec
      Start 26: tunneling_rate_constant
26/64 Test #26: tunneling_rate_constant ..............................   Passed    0.01 sec
      Start 27: user_defined_rate_constant
27/64 Test #27: user_defined_rate_constant ...........................   Passed    0.02 sec
      Start 28: chapman_ode_solver
28/64 Test #28: chapman_ode_solver ...................................   Passed    0.01 sec
      Start 29: linear_solver
29/64 Test #29: linear_solver ........................................   Passed    0.96 sec
      Start 30: lu_decomposition
30/64 Test #30: lu_decomposition .....................................   Passed    0.10 sec
      Start 31: rosenbrock
31/64 Test #31: rosenbrock ...........................................   Passed    0.03 sec
      Start 32: state
32/64 Test #32: state ................................................   Passed    0.02 sec
      Start 33: backward_euler
33/64 Test #33: backward_euler .......................................   Passed    0.03 sec
      Start 34: solver_builder
34/64 Test #34: solver_builder .......................................   Passed    0.02 sec
      Start 35: phase
35/64 Test #35: phase ................................................   Passed    0.01 sec
      Start 36: species
36/64 Test #36: species ..............................................   Passed    0.01 sec
      Start 37: system
37/64 Test #37: system ...............................................   Passed    0.01 sec
      Start 38: matrix
38/64 Test #38: matrix ...............................................   Passed    0.01 sec
      Start 39: sparse_matrix_standard_ordering
39/64 Test #39: sparse_matrix_standard_ordering ......................   Passed    0.01 sec
      Start 40: sparse_matrix_vector_ordering
40/64 Test #40: sparse_matrix_vector_ordering ........................   Passed    0.01 sec
      Start 41: vector_matrix
41/64 Test #41: vector_matrix ........................................   Passed    0.01 sec
      Start 42: version
42/64 Test #42: version ..............................................   Passed    0.01 sec
      Start 43: regression_test_rosenbrock_p_force
43/64 Test #43: regression_test_rosenbrock_p_force ...................   Passed    0.03 sec
      Start 44: regression_test_rosenbrock_dforce_dy
44/64 Test #44: regression_test_rosenbrock_dforce_dy .................   Passed    0.02 sec
      Start 45: regression_test_solve
45/64 Test #45: regression_test_solve ................................   Passed    0.04 sec
      Start 46: chapman_integration
46/64 Test #46: chapman_integration ..................................   Passed    0.09 sec
      Start 47: analytical_rosenbrock_integration
47/64 Test #47: analytical_rosenbrock_integration ....................   Passed   34.77 sec
      Start 48: analytical_backward_euler
48/64 Test #48: analytical_backward_euler ............................   Passed    2.53 sec
      Start 49: terminator
49/64 Test #49: terminator ...........................................   Passed    3.61 sec
      Start 50: integrated_reaction_rates
50/64 Test #50: integrated_reaction_rates ............................   Passed    0.03 sec
      Start 51: cuda_analytical_rosenbrock_integration
51/64 Test #51: cuda_analytical_rosenbrock_integration ...............   Passed  244.41 sec
      Start 52: README_example
52/64 Test #52: README_example .......................................   Passed    0.01 sec
      Start 53: solve_results
53/64 Test #53: solve_results ........................................   Passed    0.02 sec
      Start 54: multiple_grid_cells
54/64 Test #54: multiple_grid_cells ..................................   Passed    0.02 sec
      Start 55: rate_constants_no_user_defined_example_by_hand
55/64 Test #55: rate_constants_no_user_defined_example_by_hand .......   Passed    0.02 sec
      Start 56: rate_constants_user_defined_example_by_hand
56/64 Test #56: rate_constants_user_defined_example_by_hand ..........   Passed    0.01 sec
      Start 57: solver_configuration
57/64 Test #57: solver_configuration .................................   Passed    0.02 sec
      Start 58: vectorized_matrix_solver
58/64 Test #58: vectorized_matrix_solver .............................   Passed    0.01 sec
      Start 59: rate_constants_no_user_defined_example_with_config
59/64 Test #59: rate_constants_no_user_defined_example_with_config ...   Passed    0.03 sec
      Start 60: rate_constants_user_defined_example_with_config
60/64 Test #60: rate_constants_user_defined_example_with_config ......   Passed    0.03 sec
      Start 61: carbon_bond_5_example
61/64 Test #61: carbon_bond_5_example ................................   Passed    0.46 sec
      Start 62: chapman_example
62/64 Test #62: chapman_example ......................................   Passed    0.02 sec
      Start 63: robertson_example
63/64 Test #63: robertson_example ....................................   Passed    0.01 sec
      Start 64: ts1_example
64/64 Test #64: ts1_example ..........................................   Passed    6.43 sec

@K20shores The CUDA LU decomposition and process set tests seem to take lots of time than what I observed on Derecho. Are they running on Derecho or your local laptop?

This was on derecho

sjsprecious · 2024-11-11T17:32:49Z

Interesting. I just ran the CUDA tests on my branch for the LU decomposition rename PR and it ran much faster.

Test project /glade/derecho/scratch/sunjian/micm/build
      Start  1: solver_config
 1/64 Test  #1: solver_config ........................................   Passed    0.68 sec
      Start  2: arrhenius_config
 2/64 Test  #2: arrhenius_config .....................................   Passed    0.70 sec
      Start  3: branched_config
 3/64 Test  #3: branched_config ......................................   Passed    0.80 sec
      Start  4: emission_config
 4/64 Test  #4: emission_config ......................................   Passed    0.28 sec
      Start  5: first_order_loss_config
 5/64 Test  #5: first_order_loss_config ..............................   Passed    0.40 sec
      Start  6: photolysis_config
 6/64 Test  #6: photolysis_config ....................................   Passed    0.67 sec
      Start  7: surface_config
 7/64 Test  #7: surface_config .......................................   Passed    0.42 sec
      Start  8: ternary_chemical_activation_config
 8/64 Test  #8: ternary_chemical_activation_config ...................   Passed    0.65 sec
      Start  9: troe_config
 9/64 Test  #9: troe_config ..........................................   Passed    0.33 sec
      Start 10: tunneling_config
10/64 Test #10: tunneling_config .....................................   Passed    0.23 sec
      Start 11: user_defined_config
11/64 Test #11: user_defined_config ..................................   Passed    0.39 sec
      Start 12: cuda_process_set
12/64 Test #12: cuda_process_set .....................................   Passed    6.24 sec
      Start 13: cuda_doolittle_lu_decomposition
13/64 Test #13: cuda_doolittle_lu_decomposition ......................   Passed    6.24 sec
      Start 14: cuda_linear_solver
14/64 Test #14: cuda_linear_solver ...................................   Passed    3.10 sec
      Start 15: cuda_rosenbrock
15/64 Test #15: cuda_rosenbrock ......................................   Passed    2.37 sec
      Start 16: cuda_solver_builder
16/64 Test #16: cuda_solver_builder ..................................   Passed    0.47 sec
      Start 17: cuda_dense_matrix
17/64 Test #17: cuda_dense_matrix ....................................   Passed    0.52 sec
      Start 18: cuda_sparse_matrix
18/64 Test #18: cuda_sparse_matrix ...................................   Passed    0.47 sec
      Start 19: process
19/64 Test #19: process ..............................................   Passed    0.05 sec
      Start 20: process_set
20/64 Test #20: process_set ..........................................   Passed    0.07 sec
      Start 21: arrhenius_rate_constant
21/64 Test #21: arrhenius_rate_constant ..............................   Passed    0.06 sec
      Start 22: branched_rate_constant
22/64 Test #22: branched_rate_constant ...............................   Passed    0.05 sec
      Start 23: surface_rate_constant
23/64 Test #23: surface_rate_constant ................................   Passed    0.06 sec
      Start 24: ternary_chemical_activation_rate_constant
24/64 Test #24: ternary_chemical_activation_rate_constant ............   Passed    0.05 sec
      Start 25: troe_rate_constant
25/64 Test #25: troe_rate_constant ...................................   Passed    0.03 sec
      Start 26: tunneling_rate_constant
26/64 Test #26: tunneling_rate_constant ..............................   Passed    0.10 sec
      Start 27: user_defined_rate_constant
27/64 Test #27: user_defined_rate_constant ...........................   Passed    0.03 sec
      Start 28: chapman_ode_solver
28/64 Test #28: chapman_ode_solver ...................................   Passed    0.10 sec
      Start 29: linear_solver
29/64 Test #29: linear_solver ........................................   Passed    0.13 sec
      Start 30: doolittle_lu_decomposition
30/64 Test #30: doolittle_lu_decomposition ...........................   Passed    0.10 sec
      Start 31: rosenbrock
31/64 Test #31: rosenbrock ...........................................   Passed    0.04 sec
      Start 32: state
32/64 Test #32: state ................................................   Passed    0.07 sec
      Start 33: backward_euler
33/64 Test #33: backward_euler .......................................   Passed    0.04 sec
      Start 34: solver_builder
34/64 Test #34: solver_builder .......................................   Passed    0.05 sec
      Start 35: phase
35/64 Test #35: phase ................................................   Passed    0.05 sec
      Start 36: species
36/64 Test #36: species ..............................................   Passed    0.10 sec
      Start 37: system
37/64 Test #37: system ...............................................   Passed    0.08 sec
      Start 38: matrix
38/64 Test #38: matrix ...............................................   Passed    0.07 sec
      Start 39: sparse_matrix_standard_ordering
39/64 Test #39: sparse_matrix_standard_ordering ......................   Passed    0.04 sec
      Start 40: sparse_matrix_vector_ordering
40/64 Test #40: sparse_matrix_vector_ordering ........................   Passed    0.05 sec
      Start 41: vector_matrix
41/64 Test #41: vector_matrix ........................................   Passed    0.04 sec
      Start 42: version
42/64 Test #42: version ..............................................   Passed    0.06 sec
      Start 43: regression_test_rosenbrock_p_force
43/64 Test #43: regression_test_rosenbrock_p_force ...................   Passed    0.03 sec
      Start 44: regression_test_rosenbrock_dforce_dy
44/64 Test #44: regression_test_rosenbrock_dforce_dy .................   Passed    0.05 sec
      Start 45: regression_test_solve
45/64 Test #45: regression_test_solve ................................   Passed    0.04 sec
      Start 46: chapman_integration
46/64 Test #46: chapman_integration ..................................   Passed    0.05 sec
      Start 47: analytical_rosenbrock_integration
47/64 Test #47: analytical_rosenbrock_integration ....................   Passed    3.14 sec
      Start 48: analytical_backward_euler
48/64 Test #48: analytical_backward_euler ............................   Passed    0.83 sec
      Start 49: terminator
49/64 Test #49: terminator ...........................................   Passed    0.18 sec
      Start 50: integrated_reaction_rates
50/64 Test #50: integrated_reaction_rates ............................   Passed    0.27 sec
      Start 51: cuda_analytical_rosenbrock_integration
51/64 Test #51: cuda_analytical_rosenbrock_integration ...............   Passed  204.09 sec
      Start 52: README_example
52/64 Test #52: README_example .......................................   Passed    0.25 sec
      Start 53: solve_results
53/64 Test #53: solve_results ........................................   Passed    0.04 sec
      Start 54: multiple_grid_cells
54/64 Test #54: multiple_grid_cells ..................................   Passed    0.08 sec
      Start 55: rate_constants_no_user_defined_example_by_hand
55/64 Test #55: rate_constants_no_user_defined_example_by_hand .......   Passed    0.03 sec
      Start 56: rate_constants_user_defined_example_by_hand
56/64 Test #56: rate_constants_user_defined_example_by_hand ..........   Passed    0.04 sec
      Start 57: solver_configuration
57/64 Test #57: solver_configuration .................................   Passed    0.25 sec
      Start 58: vectorized_matrix_solver
58/64 Test #58: vectorized_matrix_solver .............................   Passed    0.07 sec
      Start 59: rate_constants_no_user_defined_example_with_config
59/64 Test #59: rate_constants_no_user_defined_example_with_config ...   Passed    0.10 sec
      Start 60: rate_constants_user_defined_example_with_config
60/64 Test #60: rate_constants_user_defined_example_with_config ......   Passed    0.13 sec
      Start 61: carbon_bond_5_example
61/64 Test #61: carbon_bond_5_example ................................   Passed    0.16 sec
      Start 62: chapman_example
62/64 Test #62: chapman_example ......................................   Passed    0.06 sec
      Start 63: robertson_example
63/64 Test #63: robertson_example ....................................   Passed    0.08 sec
      Start 64: ts1_example
64/64 Test #64: ts1_example ..........................................   Passed    0.65 sec

Can you run it on a scratch directory in case it is an issue due to the filesystem for the home directory?

K20shores · 2024-11-11T17:41:01Z

Interesting. I just ran the CUDA tests on my branch for the LU decomposition rename PR and it ran much faster.

Test project /glade/derecho/scratch/sunjian/micm/build
      Start  1: solver_config
 1/64 Test  #1: solver_config ........................................   Passed    0.68 sec
      Start  2: arrhenius_config
 2/64 Test  #2: arrhenius_config .....................................   Passed    0.70 sec
      Start  3: branched_config
 3/64 Test  #3: branched_config ......................................   Passed    0.80 sec
      Start  4: emission_config
 4/64 Test  #4: emission_config ......................................   Passed    0.28 sec
      Start  5: first_order_loss_config
 5/64 Test  #5: first_order_loss_config ..............................   Passed    0.40 sec
      Start  6: photolysis_config
 6/64 Test  #6: photolysis_config ....................................   Passed    0.67 sec
      Start  7: surface_config
 7/64 Test  #7: surface_config .......................................   Passed    0.42 sec
      Start  8: ternary_chemical_activation_config
 8/64 Test  #8: ternary_chemical_activation_config ...................   Passed    0.65 sec
      Start  9: troe_config
 9/64 Test  #9: troe_config ..........................................   Passed    0.33 sec
      Start 10: tunneling_config
10/64 Test #10: tunneling_config .....................................   Passed    0.23 sec
      Start 11: user_defined_config
11/64 Test #11: user_defined_config ..................................   Passed    0.39 sec
      Start 12: cuda_process_set
12/64 Test #12: cuda_process_set .....................................   Passed    6.24 sec
      Start 13: cuda_doolittle_lu_decomposition
13/64 Test #13: cuda_doolittle_lu_decomposition ......................   Passed    6.24 sec
      Start 14: cuda_linear_solver
14/64 Test #14: cuda_linear_solver ...................................   Passed    3.10 sec
      Start 15: cuda_rosenbrock
15/64 Test #15: cuda_rosenbrock ......................................   Passed    2.37 sec
      Start 16: cuda_solver_builder
16/64 Test #16: cuda_solver_builder ..................................   Passed    0.47 sec
      Start 17: cuda_dense_matrix
17/64 Test #17: cuda_dense_matrix ....................................   Passed    0.52 sec
      Start 18: cuda_sparse_matrix
18/64 Test #18: cuda_sparse_matrix ...................................   Passed    0.47 sec
      Start 19: process
19/64 Test #19: process ..............................................   Passed    0.05 sec
      Start 20: process_set
20/64 Test #20: process_set ..........................................   Passed    0.07 sec
      Start 21: arrhenius_rate_constant
21/64 Test #21: arrhenius_rate_constant ..............................   Passed    0.06 sec
      Start 22: branched_rate_constant
22/64 Test #22: branched_rate_constant ...............................   Passed    0.05 sec
      Start 23: surface_rate_constant
23/64 Test #23: surface_rate_constant ................................   Passed    0.06 sec
      Start 24: ternary_chemical_activation_rate_constant
24/64 Test #24: ternary_chemical_activation_rate_constant ............   Passed    0.05 sec
      Start 25: troe_rate_constant
25/64 Test #25: troe_rate_constant ...................................   Passed    0.03 sec
      Start 26: tunneling_rate_constant
26/64 Test #26: tunneling_rate_constant ..............................   Passed    0.10 sec
      Start 27: user_defined_rate_constant
27/64 Test #27: user_defined_rate_constant ...........................   Passed    0.03 sec
      Start 28: chapman_ode_solver
28/64 Test #28: chapman_ode_solver ...................................   Passed    0.10 sec
      Start 29: linear_solver
29/64 Test #29: linear_solver ........................................   Passed    0.13 sec
      Start 30: doolittle_lu_decomposition
30/64 Test #30: doolittle_lu_decomposition ...........................   Passed    0.10 sec
      Start 31: rosenbrock
31/64 Test #31: rosenbrock ...........................................   Passed    0.04 sec
      Start 32: state
32/64 Test #32: state ................................................   Passed    0.07 sec
      Start 33: backward_euler
33/64 Test #33: backward_euler .......................................   Passed    0.04 sec
      Start 34: solver_builder
34/64 Test #34: solver_builder .......................................   Passed    0.05 sec
      Start 35: phase
35/64 Test #35: phase ................................................   Passed    0.05 sec
      Start 36: species
36/64 Test #36: species ..............................................   Passed    0.10 sec
      Start 37: system
37/64 Test #37: system ...............................................   Passed    0.08 sec
      Start 38: matrix
38/64 Test #38: matrix ...............................................   Passed    0.07 sec
      Start 39: sparse_matrix_standard_ordering
39/64 Test #39: sparse_matrix_standard_ordering ......................   Passed    0.04 sec
      Start 40: sparse_matrix_vector_ordering
40/64 Test #40: sparse_matrix_vector_ordering ........................   Passed    0.05 sec
      Start 41: vector_matrix
41/64 Test #41: vector_matrix ........................................   Passed    0.04 sec
      Start 42: version
42/64 Test #42: version ..............................................   Passed    0.06 sec
      Start 43: regression_test_rosenbrock_p_force
43/64 Test #43: regression_test_rosenbrock_p_force ...................   Passed    0.03 sec
      Start 44: regression_test_rosenbrock_dforce_dy
44/64 Test #44: regression_test_rosenbrock_dforce_dy .................   Passed    0.05 sec
      Start 45: regression_test_solve
45/64 Test #45: regression_test_solve ................................   Passed    0.04 sec
      Start 46: chapman_integration
46/64 Test #46: chapman_integration ..................................   Passed    0.05 sec
      Start 47: analytical_rosenbrock_integration
47/64 Test #47: analytical_rosenbrock_integration ....................   Passed    3.14 sec
      Start 48: analytical_backward_euler
48/64 Test #48: analytical_backward_euler ............................   Passed    0.83 sec
      Start 49: terminator
49/64 Test #49: terminator ...........................................   Passed    0.18 sec
      Start 50: integrated_reaction_rates
50/64 Test #50: integrated_reaction_rates ............................   Passed    0.27 sec
      Start 51: cuda_analytical_rosenbrock_integration
51/64 Test #51: cuda_analytical_rosenbrock_integration ...............   Passed  204.09 sec
      Start 52: README_example
52/64 Test #52: README_example .......................................   Passed    0.25 sec
      Start 53: solve_results
53/64 Test #53: solve_results ........................................   Passed    0.04 sec
      Start 54: multiple_grid_cells
54/64 Test #54: multiple_grid_cells ..................................   Passed    0.08 sec
      Start 55: rate_constants_no_user_defined_example_by_hand
55/64 Test #55: rate_constants_no_user_defined_example_by_hand .......   Passed    0.03 sec
      Start 56: rate_constants_user_defined_example_by_hand
56/64 Test #56: rate_constants_user_defined_example_by_hand ..........   Passed    0.04 sec
      Start 57: solver_configuration
57/64 Test #57: solver_configuration .................................   Passed    0.25 sec
      Start 58: vectorized_matrix_solver
58/64 Test #58: vectorized_matrix_solver .............................   Passed    0.07 sec
      Start 59: rate_constants_no_user_defined_example_with_config
59/64 Test #59: rate_constants_no_user_defined_example_with_config ...   Passed    0.10 sec
      Start 60: rate_constants_user_defined_example_with_config
60/64 Test #60: rate_constants_user_defined_example_with_config ......   Passed    0.13 sec
      Start 61: carbon_bond_5_example
61/64 Test #61: carbon_bond_5_example ................................   Passed    0.16 sec
      Start 62: chapman_example
62/64 Test #62: chapman_example ......................................   Passed    0.06 sec
      Start 63: robertson_example
63/64 Test #63: robertson_example ....................................   Passed    0.08 sec
      Start 64: ts1_example
64/64 Test #64: ts1_example ..........................................   Passed    0.65 sec

Can you run it on a scratch directory in case it is an issue due to the filesystem for the home directory?

Oh man. That's drastically longer. I will try scratch and see what happens

K20shores · 2024-11-11T20:43:56Z

@sjsprecious I guess it was a scratch issue?

Running tests...
Test project /glade/derecho/scratch/kshores/micm/build
      Start  1: solver_config
 1/64 Test  #1: solver_config ........................................   Passed    0.19 sec
      Start  2: arrhenius_config
 2/64 Test  #2: arrhenius_config .....................................   Passed    0.13 sec
      Start  3: branched_config
 3/64 Test  #3: branched_config ......................................   Passed    0.11 sec
      Start  4: emission_config
 4/64 Test  #4: emission_config ......................................   Passed    0.09 sec
      Start  5: first_order_loss_config
 5/64 Test  #5: first_order_loss_config ..............................   Passed    0.05 sec
      Start  6: photolysis_config
 6/64 Test  #6: photolysis_config ....................................   Passed    0.10 sec
      Start  7: surface_config
 7/64 Test  #7: surface_config .......................................   Passed    0.10 sec
      Start  8: ternary_chemical_activation_config
 8/64 Test  #8: ternary_chemical_activation_config ...................   Passed    0.06 sec
      Start  9: troe_config
 9/64 Test  #9: troe_config ..........................................   Passed    0.05 sec
      Start 10: tunneling_config
10/64 Test #10: tunneling_config .....................................   Passed    0.07 sec
      Start 11: user_defined_config
11/64 Test #11: user_defined_config ..................................   Passed    0.10 sec
      Start 12: cuda_process_set
12/64 Test #12: cuda_process_set .....................................   Passed    5.88 sec
      Start 13: cuda_lu_decomposition
13/64 Test #13: cuda_lu_decomposition ................................   Passed    6.23 sec
      Start 14: cuda_linear_solver
14/64 Test #14: cuda_linear_solver ...................................   Passed    3.23 sec
      Start 15: cuda_rosenbrock
15/64 Test #15: cuda_rosenbrock ......................................   Passed    2.45 sec
      Start 16: cuda_solver_builder
16/64 Test #16: cuda_solver_builder ..................................   Passed    0.45 sec
      Start 17: cuda_dense_matrix
17/64 Test #17: cuda_dense_matrix ....................................   Passed    0.46 sec
      Start 18: cuda_sparse_matrix
18/64 Test #18: cuda_sparse_matrix ...................................   Passed    0.53 sec
      Start 19: process
19/64 Test #19: process ..............................................   Passed    0.05 sec
      Start 20: process_set
20/64 Test #20: process_set ..........................................   Passed    0.08 sec
      Start 21: arrhenius_rate_constant
21/64 Test #21: arrhenius_rate_constant ..............................   Passed    0.05 sec
      Start 22: branched_rate_constant
22/64 Test #22: branched_rate_constant ...............................   Passed    0.06 sec
      Start 23: surface_rate_constant
23/64 Test #23: surface_rate_constant ................................   Passed    0.04 sec
      Start 24: ternary_chemical_activation_rate_constant
24/64 Test #24: ternary_chemical_activation_rate_constant ............   Passed    0.05 sec
      Start 25: troe_rate_constant
25/64 Test #25: troe_rate_constant ...................................   Passed    0.06 sec
      Start 26: tunneling_rate_constant
26/64 Test #26: tunneling_rate_constant ..............................   Passed    0.04 sec
      Start 27: user_defined_rate_constant
27/64 Test #27: user_defined_rate_constant ...........................   Passed    0.05 sec
      Start 28: chapman_ode_solver
28/64 Test #28: chapman_ode_solver ...................................   Passed    0.09 sec
      Start 29: linear_solver
29/64 Test #29: linear_solver ........................................   Passed    0.14 sec
      Start 30: lu_decomposition
30/64 Test #30: lu_decomposition .....................................   Passed    0.06 sec
      Start 31: rosenbrock
31/64 Test #31: rosenbrock ...........................................   Passed    0.05 sec
      Start 32: state
32/64 Test #32: state ................................................   Passed    0.05 sec
      Start 33: backward_euler
33/64 Test #33: backward_euler .......................................   Passed    0.06 sec
      Start 34: solver_builder
34/64 Test #34: solver_builder .......................................   Passed    0.04 sec
      Start 35: phase
35/64 Test #35: phase ................................................   Passed    0.05 sec
      Start 36: species
36/64 Test #36: species ..............................................   Passed    0.07 sec
      Start 37: system
37/64 Test #37: system ...............................................   Passed    0.04 sec
      Start 38: matrix
38/64 Test #38: matrix ...............................................   Passed    0.07 sec
      Start 39: sparse_matrix_standard_ordering
39/64 Test #39: sparse_matrix_standard_ordering ......................   Passed    0.10 sec
      Start 40: sparse_matrix_vector_ordering
40/64 Test #40: sparse_matrix_vector_ordering ........................   Passed    0.05 sec
      Start 41: vector_matrix
41/64 Test #41: vector_matrix ........................................   Passed    0.05 sec
      Start 42: version
42/64 Test #42: version ..............................................   Passed    0.06 sec
      Start 43: regression_test_rosenbrock_p_force
43/64 Test #43: regression_test_rosenbrock_p_force ...................   Passed    0.05 sec
      Start 44: regression_test_rosenbrock_dforce_dy
44/64 Test #44: regression_test_rosenbrock_dforce_dy .................   Passed    0.07 sec
      Start 45: regression_test_solve
45/64 Test #45: regression_test_solve ................................   Passed    0.05 sec
      Start 46: chapman_integration
46/64 Test #46: chapman_integration ..................................   Passed    0.06 sec
      Start 47: analytical_rosenbrock_integration
47/64 Test #47: analytical_rosenbrock_integration ....................   Passed    2.94 sec
      Start 48: analytical_backward_euler
48/64 Test #48: analytical_backward_euler ............................   Passed    0.77 sec
      Start 49: terminator
49/64 Test #49: terminator ...........................................   Passed    0.22 sec
      Start 50: integrated_reaction_rates
50/64 Test #50: integrated_reaction_rates ............................   Passed    0.04 sec
      Start 51: cuda_analytical_rosenbrock_integration
51/64 Test #51: cuda_analytical_rosenbrock_integration ...............   Passed  241.47 sec
      Start 52: README_example
52/64 Test #52: README_example .......................................   Passed    0.06 sec
      Start 53: solve_results
53/64 Test #53: solve_results ........................................   Passed    0.04 sec
      Start 54: multiple_grid_cells
54/64 Test #54: multiple_grid_cells ..................................   Passed    0.07 sec
      Start 55: rate_constants_no_user_defined_example_by_hand
55/64 Test #55: rate_constants_no_user_defined_example_by_hand .......   Passed    0.04 sec
      Start 56: rate_constants_user_defined_example_by_hand
56/64 Test #56: rate_constants_user_defined_example_by_hand ..........   Passed    0.06 sec
      Start 57: solver_configuration
57/64 Test #57: solver_configuration .................................   Passed    0.10 sec
      Start 58: vectorized_matrix_solver
58/64 Test #58: vectorized_matrix_solver .............................   Passed    0.05 sec
      Start 59: rate_constants_no_user_defined_example_with_config
59/64 Test #59: rate_constants_no_user_defined_example_with_config ...   Passed    0.05 sec
      Start 60: rate_constants_user_defined_example_with_config
60/64 Test #60: rate_constants_user_defined_example_with_config ......   Passed    0.06 sec
      Start 61: carbon_bond_5_example
61/64 Test #61: carbon_bond_5_example ................................   Passed    0.14 sec
      Start 62: chapman_example
62/64 Test #62: chapman_example ......................................   Passed    0.01 sec
      Start 63: robertson_example
63/64 Test #63: robertson_example ....................................   Passed    0.01 sec
      Start 64: ts1_example
64/64 Test #64: ts1_example ..........................................   Passed    0.61 sec

sjsprecious · 2024-11-11T21:12:46Z

@K20shores The new result is consistent with mine now. I noticed that you were running the CUDA tests on your home directory on Derecho and I think that was the problem.

…allowSolversToModify_621

sjsprecious · 2024-11-19T19:07:18Z

include/micm/configure/solver_config.hpp

+        : system_(system),
+          processes_(processes),
+          parameters_(parameters), 
+          relative_tolerance_(relative_tolerance)


@montythind @K20shores since we move relative and absolute tolerances into the State class now, why we still need the relative_tolerance_ here for the solver parameters?

sjsprecious · 2024-11-19T19:17:25Z

include/micm/solver/solver_builder.hpp

@@ -50,6 +50,7 @@ namespace micm
    bool reorder_state_ = true;
    bool valid_system_ = false;
    bool valid_reactions_ = false;
+    double relative_tolerance_ = 1e-06;


why do we need to define relative_tolerance_ in the solverbuilder class here?

draft of 621

263af07

K20shores requested changes Sep 25, 2024

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montythind added 2 commits September 30, 2024 13:11

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montythind force-pushed the allowSolversToModify_621 branch from d059401 to 32a16e2 Compare October 1, 2024 21:07

montythind added 10 commits October 1, 2024 16:20

darft fourth

f125b16

Merge branch 'main' into allowSolversToModify_621

c580d79

test fixed

03a8105

fix cuda test

0904e97

fix cuda tests

f4cf73a

fix again

d67add6

cuda test fix

ecb857a

removed params

fefab05

added tolerance back

c481a0b

fix cuda tests

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montythind changed the title ~~Draft PR: Remove solver_.parameters_~~ Remove solver_.parameters_ Oct 16, 2024

montythind requested a review from K20shores October 16, 2024 20:28

K20shores requested review from sjsprecious, mattldawson, boulderdaze and mwaxmonsky October 17, 2024 15:52

Merge branch 'main' into allowSolversToModify_621

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sjsprecious requested changes Oct 17, 2024

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K20shores mentioned this pull request Oct 22, 2024

Jacobian diagonal elements should be moved to the state #681

Open

K20shores added 3 commits November 4, 2024 10:05

trying to copy tolerances from state

9f4b7b3

updating usage of absolute tolerance

4c84691

removed compile errors

1b67f79

K20shores and others added 7 commits November 7, 2024 14:14

moving relative tolerance

3e0d09f

fixed some backward euler stuff

a5796b1

removing debug print statements

752519e

correctly setting oregonator tolerances

601b79e

correctly using tolerances

aee4f4f

updating jit constructor

f42bfca

passing the number of species to the constructor

96ddc42

K20shores requested a review from sjsprecious November 8, 2024 22:56

K20shores added 2 commits November 11, 2024 08:33

correcting jit tests

96fbfd0

uncommenting tests

09c4df2

K20shores and others added 3 commits November 11, 2024 07:55

removing comment

f3c71f7

using same calling convention for analytical tests

59460c6

simplifying cuda analytical test interface

4b81426

sjsprecious requested changes Nov 11, 2024

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added tests

6112c2c

montythind requested a review from sjsprecious November 13, 2024 19:31

sjsprecious mentioned this pull request Nov 13, 2024

Add a StateParameters data member in the State class #687

Open

sjsprecious added 4 commits November 15, 2024 15:21

move the copy of absolute tolerance into the cuda state constructor

bd1829e

Merge branch 'allowSolversToModify_621' of github.com:NCAR/micm into …

130b83c

…allowSolversToModify_621

fix broken CI test

5a612d6

uncomment a GPU test

bacb558

sjsprecious reviewed Nov 19, 2024

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Remove solver_.parameters_ #668

Remove solver_.parameters_ #668

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Remove solver_.parameters_ #668

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Remove solver_.parameters_ #668

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