Compare commits
4 Commits
cjy-dystop
...
Trigger-Di
| Author | SHA1 | Date | |
|---|---|---|---|
| 45e3c725f9 | |||
| 7f603f189b | |||
| a821f21a23 | |||
| 34fe3e6aa5 |
3
.gitignore
vendored
3
.gitignore
vendored
@@ -1,2 +1,5 @@
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__pycache__
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__pycache__
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GW150914
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GW150914
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GW150914*
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.codex
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docs/
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@@ -9,9 +9,19 @@
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##################################################################
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##################################################################
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##################################################################
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##################################################################
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## Print program introduction
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## Guard against re-execution by multiprocessing child processes.
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## Without this, using 'spawn' or 'forkserver' context would cause every
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## worker to re-run the entire script.
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if __name__ != '__main__':
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import sys as _sys
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_sys.exit(0)
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##################################################################
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## Print program introduction
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import print_information
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import print_information
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@@ -422,31 +432,36 @@ print( " Plotting the txt and binary results data from the AMSS-NCKU simulation
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print( )
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print( )
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import plot_xiaoqu
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import plot_xiaoqu
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import plot_GW_strain_amplitude_xiaoqu
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import plot_GW_strain_amplitude_xiaoqu
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from parallel_plot_helper import run_plot_tasks_parallel
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## Plot black hole trajectory
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plot_xiaoqu.generate_puncture_orbit_plot( binary_results_directory, figure_directory )
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plot_tasks = []
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plot_xiaoqu.generate_puncture_orbit_plot3D( binary_results_directory, figure_directory )
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## Plot black hole trajectory
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## Plot black hole separation vs. time
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plot_tasks.append( ( plot_xiaoqu.generate_puncture_orbit_plot, (binary_results_directory, figure_directory) ) )
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plot_xiaoqu.generate_puncture_distence_plot( binary_results_directory, figure_directory )
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plot_tasks.append( ( plot_xiaoqu.generate_puncture_orbit_plot3D, (binary_results_directory, figure_directory) ) )
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## Plot gravitational waveforms (psi4 and strain amplitude)
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## Plot black hole separation vs. time
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for i in range(input_data.Detector_Number):
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plot_tasks.append( ( plot_xiaoqu.generate_puncture_distence_plot, (binary_results_directory, figure_directory) ) )
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plot_xiaoqu.generate_gravitational_wave_psi4_plot( binary_results_directory, figure_directory, i )
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plot_GW_strain_amplitude_xiaoqu.generate_gravitational_wave_amplitude_plot( binary_results_directory, figure_directory, i )
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## Plot gravitational waveforms (psi4 and strain amplitude)
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for i in range(input_data.Detector_Number):
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## Plot ADM mass evolution
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plot_tasks.append( ( plot_xiaoqu.generate_gravitational_wave_psi4_plot, (binary_results_directory, figure_directory, i) ) )
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for i in range(input_data.Detector_Number):
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plot_tasks.append( ( plot_GW_strain_amplitude_xiaoqu.generate_gravitational_wave_amplitude_plot, (binary_results_directory, figure_directory, i) ) )
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plot_xiaoqu.generate_ADMmass_plot( binary_results_directory, figure_directory, i )
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## Plot ADM mass evolution
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## Plot Hamiltonian constraint violation over time
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for i in range(input_data.Detector_Number):
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for i in range(input_data.grid_level):
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plot_tasks.append( ( plot_xiaoqu.generate_ADMmass_plot, (binary_results_directory, figure_directory, i) ) )
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plot_xiaoqu.generate_constraint_check_plot( binary_results_directory, figure_directory, i )
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## Plot Hamiltonian constraint violation over time
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## Plot stored binary data
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for i in range(input_data.grid_level):
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plot_xiaoqu.generate_binary_data_plot( binary_results_directory, figure_directory )
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plot_tasks.append( ( plot_xiaoqu.generate_constraint_check_plot, (binary_results_directory, figure_directory, i) ) )
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run_plot_tasks_parallel(plot_tasks)
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## Plot stored binary data
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plot_xiaoqu.generate_binary_data_plot( binary_results_directory, figure_directory )
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print( )
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print( )
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print( f" This Program Cost = {elapsed_time} Seconds " )
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print( f" This Program Cost = {elapsed_time} Seconds " )
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File diff suppressed because it is too large
Load Diff
@@ -1,7 +1,8 @@
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#ifndef TWO_PUNCTURES_H
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#ifndef TWO_PUNCTURES_H
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#define TWO_PUNCTURES_H
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#define TWO_PUNCTURES_H
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#include <omp.h>
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#define StencilSize 19
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#define StencilSize 19
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#define N_PlaneRelax 1
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#define N_PlaneRelax 1
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#define NRELAX 200
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#define NRELAX 200
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@@ -32,7 +33,7 @@ private:
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int npoints_A, npoints_B, npoints_phi;
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int npoints_A, npoints_B, npoints_phi;
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double target_M_plus, target_M_minus;
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double target_M_plus, target_M_minus;
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double admMass;
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double admMass;
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double adm_tol;
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double adm_tol;
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@@ -42,6 +43,18 @@ private:
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int ntotal;
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int ntotal;
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// ===== Precomputed spectral derivative matrices =====
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double *D1_A, *D2_A;
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double *D1_B, *D2_B;
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double *DF1_phi, *DF2_phi;
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// ===== Pre-allocated workspace for LineRelax (per-thread) =====
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int max_threads;
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double **ws_diag_be, **ws_e_be, **ws_f_be, **ws_b_be, **ws_x_be;
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double **ws_l_be, **ws_u_be, **ws_d_be, **ws_y_be;
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double **ws_diag_al, **ws_e_al, **ws_f_al, **ws_b_al, **ws_x_al;
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double **ws_l_al, **ws_u_al, **ws_d_al, **ws_y_al;
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struct parameters
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struct parameters
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{
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{
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int nvar, n1, n2, n3;
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int nvar, n1, n2, n3;
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@@ -58,6 +71,28 @@ public:
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int Newtonmaxit);
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int Newtonmaxit);
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~TwoPunctures();
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~TwoPunctures();
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// 02/07: New/modified methods
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void allocate_workspace();
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void free_workspace();
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void precompute_derivative_matrices();
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void build_cheb_deriv_matrices(int n, double *D1, double *D2);
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void build_fourier_deriv_matrices(int N, double *DF1, double *DF2);
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void Derivatives_AB3_MatMul(int nvar, int n1, int n2, int n3, derivs v);
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void ThomasAlgorithm_ws(int N, double *b, double *a, double *c, double *x, double *q,
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double *l, double *u_ws, double *d, double *y);
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void LineRelax_be_omp(double *dv,
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int const i, int const k, int const nvar,
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int const n1, int const n2, int const n3,
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double const *rhs, int const *ncols, int **cols,
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double **JFD, int tid);
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void LineRelax_al_omp(double *dv,
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int const j, int const k, int const nvar,
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int const n1, int const n2, int const n3,
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double const *rhs, int const *ncols,
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int **cols, double **JFD, int tid);
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void relax_omp(double *dv, int const nvar, int const n1, int const n2, int const n3,
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double const *rhs, int const *ncols, int **cols, double **JFD);
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void Solve();
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void Solve();
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void set_initial_guess(derivs v);
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void set_initial_guess(derivs v);
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int index(int i, int j, int k, int l, int a, int b, int c, int d);
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int index(int i, int j, int k, int l, int a, int b, int c, int d);
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@@ -116,23 +151,11 @@ public:
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double BY_KKofxyz(double x, double y, double z);
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double BY_KKofxyz(double x, double y, double z);
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void SetMatrix_JFD(int nvar, int n1, int n2, int n3, derivs u, int *ncols, int **cols, double **Matrix);
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void SetMatrix_JFD(int nvar, int n1, int n2, int n3, derivs u, int *ncols, int **cols, double **Matrix);
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void J_times_dv(int nvar, int n1, int n2, int n3, derivs dv, double *Jdv, derivs u);
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void J_times_dv(int nvar, int n1, int n2, int n3, derivs dv, double *Jdv, derivs u);
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void relax(double *dv, int const nvar, int const n1, int const n2, int const n3,
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double const *rhs, int const *ncols, int **cols, double **JFD);
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void LineRelax_be(double *dv,
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int const i, int const k, int const nvar,
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int const n1, int const n2, int const n3,
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double const *rhs, int const *ncols, int **cols,
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double **JFD);
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void JFD_times_dv(int i, int j, int k, int nvar, int n1, int n2,
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void JFD_times_dv(int i, int j, int k, int nvar, int n1, int n2,
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int n3, derivs dv, derivs u, double *values);
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int n3, derivs dv, derivs u, double *values);
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void LinEquations(double A, double B, double X, double R,
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void LinEquations(double A, double B, double X, double R,
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double x, double r, double phi,
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double x, double r, double phi,
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double y, double z, derivs dU, derivs U, double *values);
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double y, double z, derivs dU, derivs U, double *values);
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void LineRelax_al(double *dv,
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int const j, int const k, int const nvar,
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int const n1, int const n2, int const n3,
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double const *rhs, int const *ncols,
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int **cols, double **JFD);
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void ThomasAlgorithm(int N, double *b, double *a, double *c, double *x, double *q);
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void ThomasAlgorithm(int N, double *b, double *a, double *c, double *x, double *q);
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void Save(char *fname);
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void Save(char *fname);
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// provided by Vasileios Paschalidis (vpaschal@illinois.edu)
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// provided by Vasileios Paschalidis (vpaschal@illinois.edu)
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@@ -141,4 +164,4 @@ public:
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void SpecCoef(parameters par, int ivar, double *v, double *cf);
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void SpecCoef(parameters par, int ivar, double *v, double *cf);
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};
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};
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#endif /* TWO_PUNCTURES_H */
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#endif /* TWO_PUNCTURES_H */
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@@ -17,50 +17,62 @@
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real*8, dimension(ex(1),ex(2),ex(3)), intent(inout) :: Axx,Axy,Axz
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real*8, dimension(ex(1),ex(2),ex(3)), intent(inout) :: Axx,Axy,Axz
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real*8, dimension(ex(1),ex(2),ex(3)), intent(inout) :: Ayy,Ayz,Azz
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real*8, dimension(ex(1),ex(2),ex(3)), intent(inout) :: Ayy,Ayz,Azz
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!~~~~~~~> Local variable:
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!~~~~~~~> Local variable:
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real*8, dimension(ex(1),ex(2),ex(3)) :: trA,detg
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integer :: i,j,k
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real*8, dimension(ex(1),ex(2),ex(3)) :: gxx,gyy,gzz
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real*8 :: lgxx,lgyy,lgzz,ldetg
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real*8, dimension(ex(1),ex(2),ex(3)) :: gupxx,gupxy,gupxz,gupyy,gupyz,gupzz
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real*8 :: lgupxx,lgupxy,lgupxz,lgupyy,lgupyz,lgupzz
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real*8, parameter :: F1o3 = 1.D0 / 3.D0, ONE = 1.D0, TWO = 2.D0
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real*8 :: ltrA,lscale
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real*8, parameter :: F1o3 = 1.D0 / 3.D0, ONE = 1.D0, TWO = 2.D0
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!~~~~~~>
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!~~~~~~>
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gxx = dxx + ONE
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gyy = dyy + ONE
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do k=1,ex(3)
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gzz = dzz + ONE
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do j=1,ex(2)
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do i=1,ex(1)
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detg = gxx * gyy * gzz + gxy * gyz * gxz + gxz * gxy * gyz - &
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gxz * gyy * gxz - gxy * gxy * gzz - gxx * gyz * gyz
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lgxx = dxx(i,j,k) + ONE
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gupxx = ( gyy * gzz - gyz * gyz ) / detg
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lgyy = dyy(i,j,k) + ONE
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gupxy = - ( gxy * gzz - gyz * gxz ) / detg
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lgzz = dzz(i,j,k) + ONE
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gupxz = ( gxy * gyz - gyy * gxz ) / detg
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gupyy = ( gxx * gzz - gxz * gxz ) / detg
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ldetg = lgxx * lgyy * lgzz &
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gupyz = - ( gxx * gyz - gxy * gxz ) / detg
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+ gxy(i,j,k) * gyz(i,j,k) * gxz(i,j,k) &
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gupzz = ( gxx * gyy - gxy * gxy ) / detg
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+ gxz(i,j,k) * gxy(i,j,k) * gyz(i,j,k) &
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- gxz(i,j,k) * lgyy * gxz(i,j,k) &
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trA = gupxx * Axx + gupyy * Ayy + gupzz * Azz &
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- gxy(i,j,k) * gxy(i,j,k) * lgzz &
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+ TWO * (gupxy * Axy + gupxz * Axz + gupyz * Ayz)
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- lgxx * gyz(i,j,k) * gyz(i,j,k)
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Axx = Axx - F1o3 * gxx * trA
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lgupxx = ( lgyy * lgzz - gyz(i,j,k) * gyz(i,j,k) ) / ldetg
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Axy = Axy - F1o3 * gxy * trA
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lgupxy = - ( gxy(i,j,k) * lgzz - gyz(i,j,k) * gxz(i,j,k) ) / ldetg
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Axz = Axz - F1o3 * gxz * trA
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lgupxz = ( gxy(i,j,k) * gyz(i,j,k) - lgyy * gxz(i,j,k) ) / ldetg
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Ayy = Ayy - F1o3 * gyy * trA
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lgupyy = ( lgxx * lgzz - gxz(i,j,k) * gxz(i,j,k) ) / ldetg
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Ayz = Ayz - F1o3 * gyz * trA
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lgupyz = - ( lgxx * gyz(i,j,k) - gxy(i,j,k) * gxz(i,j,k) ) / ldetg
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Azz = Azz - F1o3 * gzz * trA
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lgupzz = ( lgxx * lgyy - gxy(i,j,k) * gxy(i,j,k) ) / ldetg
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detg = ONE / ( detg ** F1o3 )
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ltrA = lgupxx * Axx(i,j,k) + lgupyy * Ayy(i,j,k) &
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+ lgupzz * Azz(i,j,k) &
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gxx = gxx * detg
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+ TWO * (lgupxy * Axy(i,j,k) + lgupxz * Axz(i,j,k) &
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gxy = gxy * detg
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+ lgupyz * Ayz(i,j,k))
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gxz = gxz * detg
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gyy = gyy * detg
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Axx(i,j,k) = Axx(i,j,k) - F1o3 * lgxx * ltrA
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gyz = gyz * detg
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Axy(i,j,k) = Axy(i,j,k) - F1o3 * gxy(i,j,k) * ltrA
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gzz = gzz * detg
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Axz(i,j,k) = Axz(i,j,k) - F1o3 * gxz(i,j,k) * ltrA
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Ayy(i,j,k) = Ayy(i,j,k) - F1o3 * lgyy * ltrA
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dxx = gxx - ONE
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Ayz(i,j,k) = Ayz(i,j,k) - F1o3 * gyz(i,j,k) * ltrA
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dyy = gyy - ONE
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Azz(i,j,k) = Azz(i,j,k) - F1o3 * lgzz * ltrA
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dzz = gzz - ONE
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lscale = ONE / ( ldetg ** F1o3 )
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dxx(i,j,k) = lgxx * lscale - ONE
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gxy(i,j,k) = gxy(i,j,k) * lscale
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gxz(i,j,k) = gxz(i,j,k) * lscale
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dyy(i,j,k) = lgyy * lscale - ONE
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gyz(i,j,k) = gyz(i,j,k) * lscale
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dzz(i,j,k) = lgzz * lscale - ONE
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enddo
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enddo
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enddo
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return
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return
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@@ -81,52 +93,72 @@
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real*8, dimension(ex(1),ex(2),ex(3)), intent(inout) :: Axx,Axy,Axz
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real*8, dimension(ex(1),ex(2),ex(3)), intent(inout) :: Axx,Axy,Axz
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real*8, dimension(ex(1),ex(2),ex(3)), intent(inout) :: Ayy,Ayz,Azz
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real*8, dimension(ex(1),ex(2),ex(3)), intent(inout) :: Ayy,Ayz,Azz
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!~~~~~~~> Local variable:
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!~~~~~~~> Local variable:
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real*8, dimension(ex(1),ex(2),ex(3)) :: trA
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integer :: i,j,k
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real*8, dimension(ex(1),ex(2),ex(3)) :: gxx,gyy,gzz
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real*8 :: lgxx,lgyy,lgzz,lscale
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real*8, dimension(ex(1),ex(2),ex(3)) :: gupxx,gupxy,gupxz,gupyy,gupyz,gupzz
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real*8 :: lgxy,lgxz,lgyz
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real*8, parameter :: F1o3 = 1.D0 / 3.D0, ONE = 1.D0, TWO = 2.D0
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real*8 :: lgupxx,lgupxy,lgupxz,lgupyy,lgupyz,lgupzz
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real*8 :: ltrA
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!~~~~~~>
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real*8, parameter :: F1o3 = 1.D0 / 3.D0, ONE = 1.D0, TWO = 2.D0
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gxx = dxx + ONE
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!~~~~~~>
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gyy = dyy + ONE
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gzz = dzz + ONE
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do k=1,ex(3)
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! for g
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do j=1,ex(2)
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gupzz = gxx * gyy * gzz + gxy * gyz * gxz + gxz * gxy * gyz - &
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do i=1,ex(1)
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gxz * gyy * gxz - gxy * gxy * gzz - gxx * gyz * gyz
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||||||
|
! for g: normalize determinant first
|
||||||
gupzz = ONE / ( gupzz ** F1o3 )
|
lgxx = dxx(i,j,k) + ONE
|
||||||
|
lgyy = dyy(i,j,k) + ONE
|
||||||
gxx = gxx * gupzz
|
lgzz = dzz(i,j,k) + ONE
|
||||||
gxy = gxy * gupzz
|
lgxy = gxy(i,j,k)
|
||||||
gxz = gxz * gupzz
|
lgxz = gxz(i,j,k)
|
||||||
gyy = gyy * gupzz
|
lgyz = gyz(i,j,k)
|
||||||
gyz = gyz * gupzz
|
|
||||||
gzz = gzz * gupzz
|
lscale = lgxx * lgyy * lgzz + lgxy * lgyz * lgxz &
|
||||||
|
+ lgxz * lgxy * lgyz - lgxz * lgyy * lgxz &
|
||||||
dxx = gxx - ONE
|
- lgxy * lgxy * lgzz - lgxx * lgyz * lgyz
|
||||||
dyy = gyy - ONE
|
|
||||||
dzz = gzz - ONE
|
lscale = ONE / ( lscale ** F1o3 )
|
||||||
! for A
|
|
||||||
|
lgxx = lgxx * lscale
|
||||||
gupxx = ( gyy * gzz - gyz * gyz )
|
lgxy = lgxy * lscale
|
||||||
gupxy = - ( gxy * gzz - gyz * gxz )
|
lgxz = lgxz * lscale
|
||||||
gupxz = ( gxy * gyz - gyy * gxz )
|
lgyy = lgyy * lscale
|
||||||
gupyy = ( gxx * gzz - gxz * gxz )
|
lgyz = lgyz * lscale
|
||||||
gupyz = - ( gxx * gyz - gxy * gxz )
|
lgzz = lgzz * lscale
|
||||||
gupzz = ( gxx * gyy - gxy * gxy )
|
|
||||||
|
dxx(i,j,k) = lgxx - ONE
|
||||||
trA = gupxx * Axx + gupyy * Ayy + gupzz * Azz &
|
gxy(i,j,k) = lgxy
|
||||||
+ TWO * (gupxy * Axy + gupxz * Axz + gupyz * Ayz)
|
gxz(i,j,k) = lgxz
|
||||||
|
dyy(i,j,k) = lgyy - ONE
|
||||||
Axx = Axx - F1o3 * gxx * trA
|
gyz(i,j,k) = lgyz
|
||||||
Axy = Axy - F1o3 * gxy * trA
|
dzz(i,j,k) = lgzz - ONE
|
||||||
Axz = Axz - F1o3 * gxz * trA
|
|
||||||
Ayy = Ayy - F1o3 * gyy * trA
|
! for A: trace-free using normalized metric (det=1, no division needed)
|
||||||
Ayz = Ayz - F1o3 * gyz * trA
|
lgupxx = ( lgyy * lgzz - lgyz * lgyz )
|
||||||
Azz = Azz - F1o3 * gzz * trA
|
lgupxy = - ( lgxy * lgzz - lgyz * lgxz )
|
||||||
|
lgupxz = ( lgxy * lgyz - lgyy * lgxz )
|
||||||
|
lgupyy = ( lgxx * lgzz - lgxz * lgxz )
|
||||||
|
lgupyz = - ( lgxx * lgyz - lgxy * lgxz )
|
||||||
|
lgupzz = ( lgxx * lgyy - lgxy * lgxy )
|
||||||
|
|
||||||
|
ltrA = lgupxx * Axx(i,j,k) + lgupyy * Ayy(i,j,k) &
|
||||||
|
+ lgupzz * Azz(i,j,k) &
|
||||||
|
+ TWO * (lgupxy * Axy(i,j,k) + lgupxz * Axz(i,j,k) &
|
||||||
|
+ lgupyz * Ayz(i,j,k))
|
||||||
|
|
||||||
|
Axx(i,j,k) = Axx(i,j,k) - F1o3 * lgxx * ltrA
|
||||||
|
Axy(i,j,k) = Axy(i,j,k) - F1o3 * lgxy * ltrA
|
||||||
|
Axz(i,j,k) = Axz(i,j,k) - F1o3 * lgxz * ltrA
|
||||||
|
Ayy(i,j,k) = Ayy(i,j,k) - F1o3 * lgyy * ltrA
|
||||||
|
Ayz(i,j,k) = Ayz(i,j,k) - F1o3 * lgyz * ltrA
|
||||||
|
Azz(i,j,k) = Azz(i,j,k) - F1o3 * lgzz * ltrA
|
||||||
|
|
||||||
|
enddo
|
||||||
|
enddo
|
||||||
|
enddo
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
||||||
|
|||||||
@@ -324,8 +324,7 @@ subroutine symmetry_bd(ord,extc,func,funcc,SoA)
|
|||||||
|
|
||||||
integer::i
|
integer::i
|
||||||
|
|
||||||
funcc = 0.d0
|
funcc(1:extc(1),1:extc(2),1:extc(3)) = func
|
||||||
funcc(1:extc(1),1:extc(2),1:extc(3)) = func
|
|
||||||
do i=0,ord-1
|
do i=0,ord-1
|
||||||
funcc(-i,1:extc(2),1:extc(3)) = funcc(i+2,1:extc(2),1:extc(3))*SoA(1)
|
funcc(-i,1:extc(2),1:extc(3)) = funcc(i+2,1:extc(2),1:extc(3))*SoA(1)
|
||||||
enddo
|
enddo
|
||||||
@@ -350,8 +349,7 @@ subroutine symmetry_tbd(ord,extc,func,funcc,SoA)
|
|||||||
|
|
||||||
integer::i
|
integer::i
|
||||||
|
|
||||||
funcc = 0.d0
|
funcc(1:extc(1),1:extc(2),1:extc(3)) = func
|
||||||
funcc(1:extc(1),1:extc(2),1:extc(3)) = func
|
|
||||||
do i=0,ord-1
|
do i=0,ord-1
|
||||||
funcc(-i,1:extc(2),1:extc(3)) = funcc(i+2,1:extc(2),1:extc(3))*SoA(1)
|
funcc(-i,1:extc(2),1:extc(3)) = funcc(i+2,1:extc(2),1:extc(3))*SoA(1)
|
||||||
funcc(extc(1)+1+i,1:extc(2),1:extc(3)) = funcc(extc(1)-1-i,1:extc(2),1:extc(3))*SoA(1)
|
funcc(extc(1)+1+i,1:extc(2),1:extc(3)) = funcc(extc(1)-1-i,1:extc(2),1:extc(3))*SoA(1)
|
||||||
@@ -379,8 +377,7 @@ subroutine symmetry_stbd(ord,extc,func,funcc,SoA)
|
|||||||
|
|
||||||
integer::i
|
integer::i
|
||||||
|
|
||||||
funcc = 0.d0
|
funcc(1:extc(1),1:extc(2),1:extc(3)) = func
|
||||||
funcc(1:extc(1),1:extc(2),1:extc(3)) = func
|
|
||||||
do i=0,ord-1
|
do i=0,ord-1
|
||||||
funcc(-i,1:extc(2),1:extc(3)) = funcc(i+2,1:extc(2),1:extc(3))*SoA(1)
|
funcc(-i,1:extc(2),1:extc(3)) = funcc(i+2,1:extc(2),1:extc(3))*SoA(1)
|
||||||
funcc(extc(1)+1+i,1:extc(2),1:extc(3)) = funcc(extc(1)-1-i,1:extc(2),1:extc(3))*SoA(1)
|
funcc(extc(1)+1+i,1:extc(2),1:extc(3)) = funcc(extc(1)-1-i,1:extc(2),1:extc(3))*SoA(1)
|
||||||
@@ -886,17 +883,20 @@ subroutine symmetry_bd(ord,extc,func,funcc,SoA)
|
|||||||
|
|
||||||
integer::i
|
integer::i
|
||||||
|
|
||||||
funcc = 0.d0
|
!DIR$ SIMD VECTORLENGTHFOR(KNOWN_INTEGER=8)
|
||||||
funcc(1:extc(1),1:extc(2),1:extc(3)) = func
|
funcc(1:extc(1),1:extc(2),1:extc(3)) = func
|
||||||
do i=0,ord-1
|
!DIR$ SIMD VECTORLENGTHFOR(KNOWN_INTEGER=8)
|
||||||
funcc(-i,1:extc(2),1:extc(3)) = funcc(i+1,1:extc(2),1:extc(3))*SoA(1)
|
do i=0,ord-1
|
||||||
enddo
|
funcc(-i,1:extc(2),1:extc(3)) = funcc(i+1,1:extc(2),1:extc(3))*SoA(1)
|
||||||
do i=0,ord-1
|
enddo
|
||||||
funcc(:,-i,1:extc(3)) = funcc(:,i+1,1:extc(3))*SoA(2)
|
!DIR$ SIMD VECTORLENGTHFOR(KNOWN_INTEGER=8)
|
||||||
enddo
|
do i=0,ord-1
|
||||||
do i=0,ord-1
|
funcc(:,-i,1:extc(3)) = funcc(:,i+1,1:extc(3))*SoA(2)
|
||||||
funcc(:,:,-i) = funcc(:,:,i+1)*SoA(3)
|
enddo
|
||||||
enddo
|
!DIR$ SIMD VECTORLENGTHFOR(KNOWN_INTEGER=8)
|
||||||
|
do i=0,ord-1
|
||||||
|
funcc(:,:,-i) = funcc(:,:,i+1)*SoA(3)
|
||||||
|
enddo
|
||||||
|
|
||||||
end subroutine symmetry_bd
|
end subroutine symmetry_bd
|
||||||
|
|
||||||
@@ -912,8 +912,7 @@ subroutine symmetry_tbd(ord,extc,func,funcc,SoA)
|
|||||||
|
|
||||||
integer::i
|
integer::i
|
||||||
|
|
||||||
funcc = 0.d0
|
funcc(1:extc(1),1:extc(2),1:extc(3)) = func
|
||||||
funcc(1:extc(1),1:extc(2),1:extc(3)) = func
|
|
||||||
do i=0,ord-1
|
do i=0,ord-1
|
||||||
funcc(-i,1:extc(2),1:extc(3)) = funcc(i+1,1:extc(2),1:extc(3))*SoA(1)
|
funcc(-i,1:extc(2),1:extc(3)) = funcc(i+1,1:extc(2),1:extc(3))*SoA(1)
|
||||||
funcc(extc(1)+1+i,1:extc(2),1:extc(3)) = funcc(extc(1)-i,1:extc(2),1:extc(3))*SoA(1)
|
funcc(extc(1)+1+i,1:extc(2),1:extc(3)) = funcc(extc(1)-i,1:extc(2),1:extc(3))*SoA(1)
|
||||||
@@ -941,8 +940,7 @@ subroutine symmetry_stbd(ord,extc,func,funcc,SoA)
|
|||||||
|
|
||||||
integer::i
|
integer::i
|
||||||
|
|
||||||
funcc = 0.d0
|
funcc(1:extc(1),1:extc(2),1:extc(3)) = func
|
||||||
funcc(1:extc(1),1:extc(2),1:extc(3)) = func
|
|
||||||
do i=0,ord-1
|
do i=0,ord-1
|
||||||
funcc(-i,1:extc(2),1:extc(3)) = funcc(i+1,1:extc(2),1:extc(3))*SoA(1)
|
funcc(-i,1:extc(2),1:extc(3)) = funcc(i+1,1:extc(2),1:extc(3))*SoA(1)
|
||||||
funcc(extc(1)+1+i,1:extc(2),1:extc(3)) = funcc(extc(1)-i,1:extc(2),1:extc(3))*SoA(1)
|
funcc(extc(1)+1+i,1:extc(2),1:extc(3)) = funcc(extc(1)-i,1:extc(2),1:extc(3))*SoA(1)
|
||||||
@@ -1113,151 +1111,353 @@ end subroutine d2dump
|
|||||||
!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||||||
!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||||||
!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||||||
! common code for cell and vertex
|
! common code for cell and vertex
|
||||||
!------------------------------------------------------------------------------
|
!------------------------------------------------------------------------------
|
||||||
! Lagrangian polynomial interpolation
|
! Lagrangian polynomial interpolation
|
||||||
!------------------------------------------------------------------------------
|
!------------------------------------------------------------------------------
|
||||||
|
#ifndef POLINT6_USE_BARYCENTRIC
|
||||||
subroutine polint(xa,ya,x,y,dy,ordn)
|
#define POLINT6_USE_BARYCENTRIC 1
|
||||||
|
#endif
|
||||||
implicit none
|
|
||||||
|
!DIR$ ATTRIBUTES FORCEINLINE :: polint6_neville
|
||||||
!~~~~~~> Input Parameter:
|
subroutine polint6_neville(xa, ya, x, y, dy)
|
||||||
integer,intent(in) :: ordn
|
implicit none
|
||||||
real*8, dimension(ordn), intent(in) :: xa,ya
|
|
||||||
real*8, intent(in) :: x
|
real*8, dimension(6), intent(in) :: xa, ya
|
||||||
real*8, intent(out) :: y,dy
|
real*8, intent(in) :: x
|
||||||
|
real*8, intent(out) :: y, dy
|
||||||
!~~~~~~> Other parameter:
|
|
||||||
|
integer :: i, m, ns, n_m
|
||||||
integer :: m,n,ns
|
real*8, dimension(6) :: c, d, ho
|
||||||
real*8, dimension(ordn) :: c,d,den,ho
|
real*8 :: dif, dift, hp, h, den_val
|
||||||
real*8 :: dif,dift
|
|
||||||
|
c = ya
|
||||||
!~~~~~~>
|
d = ya
|
||||||
|
ho = xa - x
|
||||||
n=ordn
|
|
||||||
m=ordn
|
ns = 1
|
||||||
|
dif = abs(x - xa(1))
|
||||||
c=ya
|
|
||||||
d=ya
|
do i = 2, 6
|
||||||
ho=xa-x
|
dift = abs(x - xa(i))
|
||||||
|
if (dift < dif) then
|
||||||
ns=1
|
ns = i
|
||||||
dif=abs(x-xa(1))
|
dif = dift
|
||||||
do m=1,n
|
end if
|
||||||
dift=abs(x-xa(m))
|
end do
|
||||||
if(dift < dif) then
|
|
||||||
ns=m
|
y = ya(ns)
|
||||||
dif=dift
|
ns = ns - 1
|
||||||
end if
|
|
||||||
end do
|
do m = 1, 5
|
||||||
|
n_m = 6 - m
|
||||||
y=ya(ns)
|
do i = 1, n_m
|
||||||
ns=ns-1
|
hp = ho(i)
|
||||||
do m=1,n-1
|
h = ho(i+m)
|
||||||
den(1:n-m)=ho(1:n-m)-ho(1+m:n)
|
den_val = hp - h
|
||||||
if (any(den(1:n-m) == 0.0))then
|
|
||||||
write(*,*) 'failure in polint for point',x
|
if (den_val == 0.0d0) then
|
||||||
write(*,*) 'with input points: ',xa
|
write(*,*) 'failure in polint for point',x
|
||||||
stop
|
write(*,*) 'with input points: ',xa
|
||||||
endif
|
stop
|
||||||
den(1:n-m)=(c(2:n-m+1)-d(1:n-m))/den(1:n-m)
|
end if
|
||||||
d(1:n-m)=ho(1+m:n)*den(1:n-m)
|
|
||||||
c(1:n-m)=ho(1:n-m)*den(1:n-m)
|
den_val = (c(i+1) - d(i)) / den_val
|
||||||
if (2*ns < n-m) then
|
|
||||||
dy=c(ns+1)
|
d(i) = h * den_val
|
||||||
else
|
c(i) = hp * den_val
|
||||||
dy=d(ns)
|
end do
|
||||||
ns=ns-1
|
|
||||||
end if
|
if (2 * ns < n_m) then
|
||||||
y=y+dy
|
dy = c(ns + 1)
|
||||||
end do
|
else
|
||||||
|
dy = d(ns)
|
||||||
return
|
ns = ns - 1
|
||||||
|
end if
|
||||||
end subroutine polint
|
y = y + dy
|
||||||
!------------------------------------------------------------------------------
|
end do
|
||||||
!
|
|
||||||
! interpolation in 2 dimensions, follow yx order
|
return
|
||||||
!
|
end subroutine polint6_neville
|
||||||
!------------------------------------------------------------------------------
|
|
||||||
subroutine polin2(x1a,x2a,ya,x1,x2,y,dy,ordn)
|
!DIR$ ATTRIBUTES FORCEINLINE :: polint6_barycentric
|
||||||
|
subroutine polint6_barycentric(xa, ya, x, y, dy)
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
!~~~~~~> Input parameters:
|
real*8, dimension(6), intent(in) :: xa, ya
|
||||||
integer,intent(in) :: ordn
|
real*8, intent(in) :: x
|
||||||
real*8, dimension(1:ordn), intent(in) :: x1a,x2a
|
real*8, intent(out) :: y, dy
|
||||||
real*8, dimension(1:ordn,1:ordn), intent(in) :: ya
|
|
||||||
real*8, intent(in) :: x1,x2
|
integer :: i, j
|
||||||
real*8, intent(out) :: y,dy
|
logical :: is_uniform
|
||||||
|
real*8, dimension(6) :: lambda
|
||||||
!~~~~~~> Other parameters:
|
real*8 :: dx, den_i, term, num, den, step, tol
|
||||||
|
real*8, parameter :: c_uniform(6) = (/ -1.d0, 5.d0, -10.d0, 10.d0, -5.d0, 1.d0 /)
|
||||||
integer :: i,m
|
|
||||||
real*8, dimension(ordn) :: ymtmp
|
do i = 1, 6
|
||||||
real*8, dimension(ordn) :: yntmp
|
if (x == xa(i)) then
|
||||||
|
y = ya(i)
|
||||||
m=size(x1a)
|
dy = 0.d0
|
||||||
|
return
|
||||||
do i=1,m
|
end if
|
||||||
|
end do
|
||||||
yntmp=ya(i,:)
|
|
||||||
call polint(x2a,yntmp,x2,ymtmp(i),dy,ordn)
|
step = xa(2) - xa(1)
|
||||||
|
is_uniform = (step /= 0.d0)
|
||||||
end do
|
if (is_uniform) then
|
||||||
|
tol = 64.d0 * epsilon(1.d0) * max(1.d0, abs(step))
|
||||||
call polint(x1a,ymtmp,x1,y,dy,ordn)
|
do i = 3, 6
|
||||||
|
if (abs((xa(i) - xa(i-1)) - step) > tol) then
|
||||||
return
|
is_uniform = .false.
|
||||||
|
exit
|
||||||
end subroutine polin2
|
end if
|
||||||
!------------------------------------------------------------------------------
|
end do
|
||||||
!
|
end if
|
||||||
! interpolation in 3 dimensions, follow zyx order
|
|
||||||
!
|
if (is_uniform) then
|
||||||
!------------------------------------------------------------------------------
|
num = 0.d0
|
||||||
subroutine polin3(x1a,x2a,x3a,ya,x1,x2,x3,y,dy,ordn)
|
den = 0.d0
|
||||||
|
do i = 1, 6
|
||||||
implicit none
|
term = c_uniform(i) / (x - xa(i))
|
||||||
|
num = num + term * ya(i)
|
||||||
!~~~~~~> Input parameters:
|
den = den + term
|
||||||
integer,intent(in) :: ordn
|
end do
|
||||||
real*8, dimension(1:ordn), intent(in) :: x1a,x2a,x3a
|
y = num / den
|
||||||
real*8, dimension(1:ordn,1:ordn,1:ordn), intent(in) :: ya
|
dy = 0.d0
|
||||||
real*8, intent(in) :: x1,x2,x3
|
return
|
||||||
real*8, intent(out) :: y,dy
|
end if
|
||||||
|
|
||||||
!~~~~~~> Other parameters:
|
do i = 1, 6
|
||||||
|
den_i = 1.d0
|
||||||
integer :: i,j,m,n
|
do j = 1, 6
|
||||||
real*8, dimension(ordn,ordn) :: yatmp
|
if (j /= i) then
|
||||||
real*8, dimension(ordn) :: ymtmp
|
dx = xa(i) - xa(j)
|
||||||
real*8, dimension(ordn) :: yntmp
|
if (dx == 0.0d0) then
|
||||||
real*8, dimension(ordn) :: yqtmp
|
write(*,*) 'failure in polint for point',x
|
||||||
|
write(*,*) 'with input points: ',xa
|
||||||
m=size(x1a)
|
stop
|
||||||
n=size(x2a)
|
end if
|
||||||
|
den_i = den_i * dx
|
||||||
do i=1,m
|
end if
|
||||||
do j=1,n
|
end do
|
||||||
|
lambda(i) = 1.d0 / den_i
|
||||||
yqtmp=ya(i,j,:)
|
end do
|
||||||
call polint(x3a,yqtmp,x3,yatmp(i,j),dy,ordn)
|
|
||||||
|
num = 0.d0
|
||||||
end do
|
den = 0.d0
|
||||||
|
do i = 1, 6
|
||||||
yntmp=yatmp(i,:)
|
term = lambda(i) / (x - xa(i))
|
||||||
call polint(x2a,yntmp,x2,ymtmp(i),dy,ordn)
|
num = num + term * ya(i)
|
||||||
|
den = den + term
|
||||||
end do
|
end do
|
||||||
|
|
||||||
call polint(x1a,ymtmp,x1,y,dy,ordn)
|
y = num / den
|
||||||
|
dy = 0.d0
|
||||||
return
|
|
||||||
|
return
|
||||||
end subroutine polin3
|
end subroutine polint6_barycentric
|
||||||
|
|
||||||
|
!DIR$ ATTRIBUTES FORCEINLINE :: polint
|
||||||
|
subroutine polint(xa, ya, x, y, dy, ordn)
|
||||||
|
implicit none
|
||||||
|
|
||||||
|
integer, intent(in) :: ordn
|
||||||
|
real*8, dimension(ordn), intent(in) :: xa, ya
|
||||||
|
real*8, intent(in) :: x
|
||||||
|
real*8, intent(out) :: y, dy
|
||||||
|
|
||||||
|
integer :: i, m, ns, n_m
|
||||||
|
real*8, dimension(ordn) :: c, d, ho
|
||||||
|
real*8 :: dif, dift, hp, h, den_val
|
||||||
|
|
||||||
|
if (ordn == 6) then
|
||||||
|
#if POLINT6_USE_BARYCENTRIC
|
||||||
|
call polint6_barycentric(xa, ya, x, y, dy)
|
||||||
|
#else
|
||||||
|
call polint6_neville(xa, ya, x, y, dy)
|
||||||
|
#endif
|
||||||
|
return
|
||||||
|
end if
|
||||||
|
|
||||||
|
c = ya
|
||||||
|
d = ya
|
||||||
|
ho = xa - x
|
||||||
|
|
||||||
|
ns = 1
|
||||||
|
dif = abs(x - xa(1))
|
||||||
|
|
||||||
|
do i = 2, ordn
|
||||||
|
dift = abs(x - xa(i))
|
||||||
|
if (dift < dif) then
|
||||||
|
ns = i
|
||||||
|
dif = dift
|
||||||
|
end if
|
||||||
|
end do
|
||||||
|
|
||||||
|
y = ya(ns)
|
||||||
|
ns = ns - 1
|
||||||
|
|
||||||
|
do m = 1, ordn - 1
|
||||||
|
n_m = ordn - m
|
||||||
|
do i = 1, n_m
|
||||||
|
hp = ho(i)
|
||||||
|
h = ho(i+m)
|
||||||
|
den_val = hp - h
|
||||||
|
|
||||||
|
if (den_val == 0.0d0) then
|
||||||
|
write(*,*) 'failure in polint for point',x
|
||||||
|
write(*,*) 'with input points: ',xa
|
||||||
|
stop
|
||||||
|
end if
|
||||||
|
|
||||||
|
den_val = (c(i+1) - d(i)) / den_val
|
||||||
|
|
||||||
|
d(i) = h * den_val
|
||||||
|
c(i) = hp * den_val
|
||||||
|
end do
|
||||||
|
|
||||||
|
if (2 * ns < n_m) then
|
||||||
|
dy = c(ns + 1)
|
||||||
|
else
|
||||||
|
dy = d(ns)
|
||||||
|
ns = ns - 1
|
||||||
|
end if
|
||||||
|
y = y + dy
|
||||||
|
end do
|
||||||
|
|
||||||
|
return
|
||||||
|
end subroutine polint
|
||||||
|
!------------------------------------------------------------------------------
|
||||||
|
! Compute Lagrange interpolation basis weights for one target point.
|
||||||
|
!------------------------------------------------------------------------------
|
||||||
|
!DIR$ ATTRIBUTES FORCEINLINE :: polint_lagrange_weights
|
||||||
|
subroutine polint_lagrange_weights(xa, x, w, ordn)
|
||||||
|
implicit none
|
||||||
|
|
||||||
|
integer, intent(in) :: ordn
|
||||||
|
real*8, dimension(1:ordn), intent(in) :: xa
|
||||||
|
real*8, intent(in) :: x
|
||||||
|
real*8, dimension(1:ordn), intent(out) :: w
|
||||||
|
|
||||||
|
integer :: i, j
|
||||||
|
real*8 :: num, den, dx
|
||||||
|
|
||||||
|
do i = 1, ordn
|
||||||
|
num = 1.d0
|
||||||
|
den = 1.d0
|
||||||
|
do j = 1, ordn
|
||||||
|
if (j /= i) then
|
||||||
|
dx = xa(i) - xa(j)
|
||||||
|
if (dx == 0.0d0) then
|
||||||
|
write(*,*) 'failure in polint for point',x
|
||||||
|
write(*,*) 'with input points: ',xa
|
||||||
|
stop
|
||||||
|
end if
|
||||||
|
num = num * (x - xa(j))
|
||||||
|
den = den * dx
|
||||||
|
end if
|
||||||
|
end do
|
||||||
|
w(i) = num / den
|
||||||
|
end do
|
||||||
|
|
||||||
|
return
|
||||||
|
end subroutine polint_lagrange_weights
|
||||||
|
!------------------------------------------------------------------------------
|
||||||
|
!
|
||||||
|
! interpolation in 2 dimensions, follow yx order
|
||||||
|
!
|
||||||
|
!------------------------------------------------------------------------------
|
||||||
|
subroutine polin2(x1a,x2a,ya,x1,x2,y,dy,ordn)
|
||||||
|
implicit none
|
||||||
|
|
||||||
|
integer,intent(in) :: ordn
|
||||||
|
real*8, dimension(1:ordn), intent(in) :: x1a,x2a
|
||||||
|
real*8, dimension(1:ordn,1:ordn), intent(in) :: ya
|
||||||
|
real*8, intent(in) :: x1,x2
|
||||||
|
real*8, intent(out) :: y,dy
|
||||||
|
|
||||||
|
#ifdef POLINT_LEGACY_ORDER
|
||||||
|
integer :: i,m
|
||||||
|
real*8, dimension(ordn) :: ymtmp
|
||||||
|
real*8, dimension(ordn) :: yntmp
|
||||||
|
|
||||||
|
m=size(x1a)
|
||||||
|
do i=1,m
|
||||||
|
yntmp=ya(i,:)
|
||||||
|
call polint(x2a,yntmp,x2,ymtmp(i),dy,ordn)
|
||||||
|
end do
|
||||||
|
call polint(x1a,ymtmp,x1,y,dy,ordn)
|
||||||
|
#else
|
||||||
|
integer :: j
|
||||||
|
real*8, dimension(ordn) :: ymtmp
|
||||||
|
real*8 :: dy_temp
|
||||||
|
|
||||||
|
do j=1,ordn
|
||||||
|
call polint(x1a, ya(:,j), x1, ymtmp(j), dy_temp, ordn)
|
||||||
|
end do
|
||||||
|
call polint(x2a, ymtmp, x2, y, dy, ordn)
|
||||||
|
#endif
|
||||||
|
|
||||||
|
return
|
||||||
|
end subroutine polin2
|
||||||
|
!------------------------------------------------------------------------------
|
||||||
|
!
|
||||||
|
! interpolation in 3 dimensions, follow zyx order
|
||||||
|
!
|
||||||
|
!------------------------------------------------------------------------------
|
||||||
|
subroutine polin3(x1a,x2a,x3a,ya,x1,x2,x3,y,dy,ordn)
|
||||||
|
implicit none
|
||||||
|
|
||||||
|
integer,intent(in) :: ordn
|
||||||
|
real*8, dimension(1:ordn), intent(in) :: x1a,x2a,x3a
|
||||||
|
real*8, dimension(1:ordn,1:ordn,1:ordn), intent(in) :: ya
|
||||||
|
real*8, intent(in) :: x1,x2,x3
|
||||||
|
real*8, intent(out) :: y,dy
|
||||||
|
|
||||||
|
#ifdef POLINT_LEGACY_ORDER
|
||||||
|
integer :: i,j,m,n
|
||||||
|
real*8, dimension(ordn,ordn) :: yatmp
|
||||||
|
real*8, dimension(ordn) :: ymtmp
|
||||||
|
real*8, dimension(ordn) :: yntmp
|
||||||
|
real*8, dimension(ordn) :: yqtmp
|
||||||
|
|
||||||
|
m=size(x1a)
|
||||||
|
n=size(x2a)
|
||||||
|
do i=1,m
|
||||||
|
do j=1,n
|
||||||
|
yqtmp=ya(i,j,:)
|
||||||
|
call polint(x3a,yqtmp,x3,yatmp(i,j),dy,ordn)
|
||||||
|
end do
|
||||||
|
yntmp=yatmp(i,:)
|
||||||
|
call polint(x2a,yntmp,x2,ymtmp(i),dy,ordn)
|
||||||
|
end do
|
||||||
|
call polint(x1a,ymtmp,x1,y,dy,ordn)
|
||||||
|
#else
|
||||||
|
integer :: i, j, k
|
||||||
|
real*8, dimension(ordn) :: w1, w2
|
||||||
|
real*8, dimension(ordn) :: ymtmp
|
||||||
|
real*8 :: yx_sum, x_sum
|
||||||
|
|
||||||
|
call polint_lagrange_weights(x1a, x1, w1, ordn)
|
||||||
|
call polint_lagrange_weights(x2a, x2, w2, ordn)
|
||||||
|
|
||||||
|
do k = 1, ordn
|
||||||
|
yx_sum = 0.d0
|
||||||
|
do j = 1, ordn
|
||||||
|
x_sum = 0.d0
|
||||||
|
do i = 1, ordn
|
||||||
|
x_sum = x_sum + w1(i) * ya(i,j,k)
|
||||||
|
end do
|
||||||
|
yx_sum = yx_sum + w2(j) * x_sum
|
||||||
|
end do
|
||||||
|
ymtmp(k) = yx_sum
|
||||||
|
end do
|
||||||
|
|
||||||
|
call polint(x3a, ymtmp, x3, y, dy, ordn)
|
||||||
|
#endif
|
||||||
|
|
||||||
|
return
|
||||||
|
end subroutine polin3
|
||||||
!--------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------
|
||||||
! calculate L2norm
|
! calculate L2norm
|
||||||
subroutine l2normhelper(ex, X, Y, Z,xmin,ymin,zmin,xmax,ymax,zmax,&
|
subroutine l2normhelper(ex, X, Y, Z,xmin,ymin,zmin,xmax,ymax,zmax,&
|
||||||
@@ -1276,7 +1476,9 @@ end subroutine d2dump
|
|||||||
real*8 :: dX, dY, dZ
|
real*8 :: dX, dY, dZ
|
||||||
integer::imin,jmin,kmin
|
integer::imin,jmin,kmin
|
||||||
integer::imax,jmax,kmax
|
integer::imax,jmax,kmax
|
||||||
integer::i,j,k
|
integer::i,j,k,n_elements
|
||||||
|
real*8, dimension(:), allocatable :: f_flat
|
||||||
|
real*8, external :: DDOT
|
||||||
|
|
||||||
dX = X(2) - X(1)
|
dX = X(2) - X(1)
|
||||||
dY = Y(2) - Y(1)
|
dY = Y(2) - Y(1)
|
||||||
@@ -1300,15 +1502,91 @@ if(dabs(X(1)-xmin) < dX) imin = 1
|
|||||||
if(dabs(Y(1)-ymin) < dY) jmin = 1
|
if(dabs(Y(1)-ymin) < dY) jmin = 1
|
||||||
if(dabs(Z(1)-zmin) < dZ) kmin = 1
|
if(dabs(Z(1)-zmin) < dZ) kmin = 1
|
||||||
|
|
||||||
f_out = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
|
n_elements = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
|
||||||
|
allocate(f_flat(n_elements))
|
||||||
|
f_flat = reshape(f(imin:imax,jmin:jmax,kmin:kmax), [n_elements])
|
||||||
|
f_out = DDOT(n_elements, f_flat, 1, f_flat, 1)
|
||||||
|
deallocate(f_flat)
|
||||||
|
|
||||||
f_out = f_out*dX*dY*dZ
|
f_out = f_out*dX*dY*dZ
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
||||||
end subroutine l2normhelper
|
end subroutine l2normhelper
|
||||||
!--------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------
|
||||||
! calculate L2norm especially for shell Blocks
|
subroutine l2normhelper7(ex, X, Y, Z,xmin,ymin,zmin,xmax,ymax,zmax,&
|
||||||
|
f1,f2,f3,f4,f5,f6,f7,f_out,gw)
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
!~~~~~~> Input parameters:
|
||||||
|
integer,intent(in ):: ex(1:3)
|
||||||
|
real*8, intent(in ):: X(1:ex(1)),Y(1:ex(2)),Z(1:ex(3)),xmin,ymin,zmin,xmax,ymax,zmax
|
||||||
|
integer,intent(in)::gw
|
||||||
|
real*8, dimension(ex(1),ex(2),ex(3)),intent(in) :: f1,f2,f3,f4,f5,f6,f7
|
||||||
|
real*8, intent(out) :: f_out(7)
|
||||||
|
!~~~~~~> Other variables:
|
||||||
|
|
||||||
|
real*8 :: dX, dY, dZ
|
||||||
|
integer::imin,jmin,kmin
|
||||||
|
integer::imax,jmax,kmax
|
||||||
|
integer::i,j,k
|
||||||
|
real*8 :: s1,s2,s3,s4,s5,s6,s7
|
||||||
|
|
||||||
|
dX = X(2) - X(1)
|
||||||
|
dY = Y(2) - Y(1)
|
||||||
|
dZ = Z(2) - Z(1)
|
||||||
|
|
||||||
|
imin = gw+1
|
||||||
|
jmin = gw+1
|
||||||
|
kmin = gw+1
|
||||||
|
|
||||||
|
imax = ex(1) - gw
|
||||||
|
jmax = ex(2) - gw
|
||||||
|
kmax = ex(3) - gw
|
||||||
|
|
||||||
|
if(dabs(X(ex(1))-xmax) < dX) imax = ex(1)
|
||||||
|
if(dabs(Y(ex(2))-ymax) < dY) jmax = ex(2)
|
||||||
|
if(dabs(Z(ex(3))-zmax) < dZ) kmax = ex(3)
|
||||||
|
if(dabs(X(1)-xmin) < dX) imin = 1
|
||||||
|
if(dabs(Y(1)-ymin) < dY) jmin = 1
|
||||||
|
if(dabs(Z(1)-zmin) < dZ) kmin = 1
|
||||||
|
|
||||||
|
s1 = 0.d0
|
||||||
|
s2 = 0.d0
|
||||||
|
s3 = 0.d0
|
||||||
|
s4 = 0.d0
|
||||||
|
s5 = 0.d0
|
||||||
|
s6 = 0.d0
|
||||||
|
s7 = 0.d0
|
||||||
|
|
||||||
|
do k=kmin,kmax
|
||||||
|
do j=jmin,jmax
|
||||||
|
!DIR$ SIMD REDUCTION(+:s1,s2,s3,s4,s5,s6,s7)
|
||||||
|
do i=imin,imax
|
||||||
|
s1 = s1 + f1(i,j,k)*f1(i,j,k)
|
||||||
|
s2 = s2 + f2(i,j,k)*f2(i,j,k)
|
||||||
|
s3 = s3 + f3(i,j,k)*f3(i,j,k)
|
||||||
|
s4 = s4 + f4(i,j,k)*f4(i,j,k)
|
||||||
|
s5 = s5 + f5(i,j,k)*f5(i,j,k)
|
||||||
|
s6 = s6 + f6(i,j,k)*f6(i,j,k)
|
||||||
|
s7 = s7 + f7(i,j,k)*f7(i,j,k)
|
||||||
|
enddo
|
||||||
|
enddo
|
||||||
|
enddo
|
||||||
|
|
||||||
|
f_out(1) = s1*dX*dY*dZ
|
||||||
|
f_out(2) = s2*dX*dY*dZ
|
||||||
|
f_out(3) = s3*dX*dY*dZ
|
||||||
|
f_out(4) = s4*dX*dY*dZ
|
||||||
|
f_out(5) = s5*dX*dY*dZ
|
||||||
|
f_out(6) = s6*dX*dY*dZ
|
||||||
|
f_out(7) = s7*dX*dY*dZ
|
||||||
|
|
||||||
|
return
|
||||||
|
|
||||||
|
end subroutine l2normhelper7
|
||||||
|
!--------------------------------------------------------------------------------------
|
||||||
|
! calculate L2norm especially for shell Blocks
|
||||||
subroutine l2normhelper_sh(ex, X, Y, Z,xmin,ymin,zmin,xmax,ymax,zmax,&
|
subroutine l2normhelper_sh(ex, X, Y, Z,xmin,ymin,zmin,xmax,ymax,zmax,&
|
||||||
f,f_out,gw,ogw,Symmetry)
|
f,f_out,gw,ogw,Symmetry)
|
||||||
|
|
||||||
@@ -1325,7 +1603,9 @@ f_out = f_out*dX*dY*dZ
|
|||||||
real*8 :: dX, dY, dZ
|
real*8 :: dX, dY, dZ
|
||||||
integer::imin,jmin,kmin
|
integer::imin,jmin,kmin
|
||||||
integer::imax,jmax,kmax
|
integer::imax,jmax,kmax
|
||||||
integer::i,j,k
|
integer::i,j,k,n_elements
|
||||||
|
real*8, dimension(:), allocatable :: f_flat
|
||||||
|
real*8, external :: DDOT
|
||||||
|
|
||||||
real*8 :: PIo4
|
real*8 :: PIo4
|
||||||
|
|
||||||
@@ -1388,7 +1668,11 @@ if(Symmetry==2)then
|
|||||||
if(dabs(ymin+gw*dY)<dY.and.Y(1)<0.d0) jmin = gw+1
|
if(dabs(ymin+gw*dY)<dY.and.Y(1)<0.d0) jmin = gw+1
|
||||||
endif
|
endif
|
||||||
|
|
||||||
f_out = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
|
n_elements = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
|
||||||
|
allocate(f_flat(n_elements))
|
||||||
|
f_flat = reshape(f(imin:imax,jmin:jmax,kmin:kmax), [n_elements])
|
||||||
|
f_out = DDOT(n_elements, f_flat, 1, f_flat, 1)
|
||||||
|
deallocate(f_flat)
|
||||||
|
|
||||||
f_out = f_out*dX*dY*dZ
|
f_out = f_out*dX*dY*dZ
|
||||||
|
|
||||||
@@ -1415,7 +1699,9 @@ f_out = f_out*dX*dY*dZ
|
|||||||
real*8 :: dX, dY, dZ
|
real*8 :: dX, dY, dZ
|
||||||
integer::imin,jmin,kmin
|
integer::imin,jmin,kmin
|
||||||
integer::imax,jmax,kmax
|
integer::imax,jmax,kmax
|
||||||
integer::i,j,k
|
integer::i,j,k
|
||||||
|
real*8, dimension(:), allocatable :: f_flat
|
||||||
|
real*8, external :: DDOT
|
||||||
|
|
||||||
real*8 :: PIo4
|
real*8 :: PIo4
|
||||||
|
|
||||||
@@ -1478,11 +1764,11 @@ if(Symmetry==2)then
|
|||||||
if(dabs(ymin+gw*dY)<dY.and.Y(1)<0.d0) jmin = gw+1
|
if(dabs(ymin+gw*dY)<dY.and.Y(1)<0.d0) jmin = gw+1
|
||||||
endif
|
endif
|
||||||
|
|
||||||
f_out = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
|
Nout = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
|
||||||
|
allocate(f_flat(Nout))
|
||||||
f_out = f_out
|
f_flat = reshape(f(imin:imax,jmin:jmax,kmin:kmax), [Nout])
|
||||||
|
f_out = DDOT(Nout, f_flat, 1, f_flat, 1)
|
||||||
Nout = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
|
deallocate(f_flat)
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
||||||
@@ -1583,9 +1869,12 @@ Nout = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
|
|||||||
! ^
|
! ^
|
||||||
! f=3/8*f_1 + 3/4*f_2 - 1/8*f_3
|
! f=3/8*f_1 + 3/4*f_2 - 1/8*f_3
|
||||||
|
|
||||||
real*8,parameter::C1=3.d0/8.d0,C2=3.d0/4.d0,C3=-1.d0/8.d0
|
real*8,parameter::C1=3.d0/8.d0,C2=3.d0/4.d0,C3=-1.d0/8.d0
|
||||||
|
integer :: i,j,k
|
||||||
fout = C1*f1+C2*f2+C3*f3
|
|
||||||
|
do concurrent (k=1:ext(3), j=1:ext(2), i=1:ext(1))
|
||||||
|
fout(i,j,k) = C1*f1(i,j,k)+C2*f2(i,j,k)+C3*f3(i,j,k)
|
||||||
|
end do
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
||||||
@@ -1679,7 +1968,8 @@ Nout = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
|
|||||||
real*8, dimension(ORDN,ORDN,ORDN) :: ya
|
real*8, dimension(ORDN,ORDN,ORDN) :: ya
|
||||||
real*8, dimension(ORDN,ORDN) :: tmp2
|
real*8, dimension(ORDN,ORDN) :: tmp2
|
||||||
real*8, dimension(ORDN) :: tmp1
|
real*8, dimension(ORDN) :: tmp1
|
||||||
real*8, dimension(3) :: SoAh
|
real*8, dimension(3) :: SoAh
|
||||||
|
real*8, external :: DDOT
|
||||||
|
|
||||||
! +1 because c++ gives 0 for first point
|
! +1 because c++ gives 0 for first point
|
||||||
cxB = inds+1
|
cxB = inds+1
|
||||||
@@ -1725,10 +2015,7 @@ Nout = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
|
|||||||
tmp1 = tmp1 + coef(ORDN+m)*tmp2(:,m)
|
tmp1 = tmp1 + coef(ORDN+m)*tmp2(:,m)
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
f_int=0
|
f_int = DDOT(ORDN, coef(1:ORDN), 1, tmp1, 1)
|
||||||
do m=1,ORDN
|
|
||||||
f_int = f_int + coef(m)*tmp1(m)
|
|
||||||
enddo
|
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
||||||
@@ -1757,7 +2044,8 @@ Nout = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
|
|||||||
integer,dimension(2) :: cxB,cxT
|
integer,dimension(2) :: cxB,cxT
|
||||||
real*8, dimension(ORDN,ORDN) :: ya
|
real*8, dimension(ORDN,ORDN) :: ya
|
||||||
real*8, dimension(ORDN) :: tmp1
|
real*8, dimension(ORDN) :: tmp1
|
||||||
real*8, dimension(2) :: SoAh
|
real*8, dimension(2) :: SoAh
|
||||||
|
real*8, external :: DDOT
|
||||||
|
|
||||||
! +1 because c++ gives 0 for first point
|
! +1 because c++ gives 0 for first point
|
||||||
cxB = inds(1:2)+1
|
cxB = inds(1:2)+1
|
||||||
@@ -1792,10 +2080,7 @@ Nout = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
|
|||||||
tmp1 = tmp1 + coef(ORDN+m)*ya(:,m)
|
tmp1 = tmp1 + coef(ORDN+m)*ya(:,m)
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
f_int=0
|
f_int = DDOT(ORDN, coef(1:ORDN), 1, tmp1, 1)
|
||||||
do m=1,ORDN
|
|
||||||
f_int = f_int + coef(m)*tmp1(m)
|
|
||||||
enddo
|
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
||||||
@@ -1821,11 +2106,12 @@ Nout = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
|
|||||||
!~~~~~~> Other parameters:
|
!~~~~~~> Other parameters:
|
||||||
|
|
||||||
real*8, dimension(-ORDN+1:ex(1)+ORDN,-ORDN+1:ex(2)+ORDN,ex(3)) :: fh
|
real*8, dimension(-ORDN+1:ex(1)+ORDN,-ORDN+1:ex(2)+ORDN,ex(3)) :: fh
|
||||||
integer :: m
|
integer :: m
|
||||||
integer :: cxB,cxT
|
integer :: cxB,cxT
|
||||||
real*8, dimension(ORDN) :: ya
|
real*8, dimension(ORDN) :: ya
|
||||||
real*8 :: SoAh
|
real*8 :: SoAh
|
||||||
integer,dimension(3) :: inds
|
integer,dimension(3) :: inds
|
||||||
|
real*8, external :: DDOT
|
||||||
|
|
||||||
! +1 because c++ gives 0 for first point
|
! +1 because c++ gives 0 for first point
|
||||||
inds = indsi + 1
|
inds = indsi + 1
|
||||||
@@ -1886,10 +2172,7 @@ Nout = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
|
|||||||
write(*,*)"error in global_interpind1d, not recognized dumyd = ",dumyd
|
write(*,*)"error in global_interpind1d, not recognized dumyd = ",dumyd
|
||||||
endif
|
endif
|
||||||
|
|
||||||
f_int=0
|
f_int = DDOT(ORDN, coef, 1, ya, 1)
|
||||||
do m=1,ORDN
|
|
||||||
f_int = f_int + coef(m)*ya(m)
|
|
||||||
enddo
|
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
||||||
@@ -2125,20 +2408,28 @@ Nout = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
|
|||||||
implicit none
|
implicit none
|
||||||
integer,intent(in) :: N
|
integer,intent(in) :: N
|
||||||
|
|
||||||
real*8 :: gont
|
real*8 :: gont
|
||||||
|
|
||||||
integer :: i
|
integer :: i
|
||||||
|
real*8, parameter, dimension(0:20) :: fact_table = [ &
|
||||||
|
1.d0, 1.d0, 2.d0, 6.d0, 24.d0, 120.d0, 720.d0, 5040.d0, 40320.d0, &
|
||||||
|
362880.d0, 3628800.d0, 39916800.d0, 479001600.d0, 6227020800.d0, &
|
||||||
|
87178291200.d0, 1307674368000.d0, 20922789888000.d0, &
|
||||||
|
355687428096000.d0, 6402373705728000.d0, 121645100408832000.d0, &
|
||||||
|
2432902008176640000.d0 ]
|
||||||
|
|
||||||
! sanity check
|
! sanity check
|
||||||
if(N < 0)then
|
if(N < 0)then
|
||||||
write(*,*) "ffact: error input for factorial"
|
write(*,*) "ffact: error input for factorial"
|
||||||
return
|
gont = 1.d0
|
||||||
endif
|
return
|
||||||
|
endif
|
||||||
gont = 1.d0
|
|
||||||
do i=1,N
|
if(N <= 20)then
|
||||||
gont = gont*i
|
gont = fact_table(N)
|
||||||
enddo
|
else
|
||||||
|
gont = exp(log_gamma(dble(N+1)))
|
||||||
|
endif
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
||||||
|
|||||||
@@ -12,9 +12,10 @@
|
|||||||
#define f_global_interpind global_interpind
|
#define f_global_interpind global_interpind
|
||||||
#define f_global_interpind2d global_interpind2d
|
#define f_global_interpind2d global_interpind2d
|
||||||
#define f_global_interpind1d global_interpind1d
|
#define f_global_interpind1d global_interpind1d
|
||||||
#define f_l2normhelper l2normhelper
|
#define f_l2normhelper l2normhelper
|
||||||
#define f_l2normhelper_sh l2normhelper_sh
|
#define f_l2normhelper7 l2normhelper7
|
||||||
#define f_l2normhelper_sh_rms l2normhelper_sh_rms
|
#define f_l2normhelper_sh l2normhelper_sh
|
||||||
|
#define f_l2normhelper_sh_rms l2normhelper_sh_rms
|
||||||
#define f_average average
|
#define f_average average
|
||||||
#define f_average3 average3
|
#define f_average3 average3
|
||||||
#define f_average2 average2
|
#define f_average2 average2
|
||||||
@@ -41,9 +42,10 @@
|
|||||||
#define f_global_interpind GLOBAL_INTERPIND
|
#define f_global_interpind GLOBAL_INTERPIND
|
||||||
#define f_global_interpind2d GLOBAL_INTERPIND2D
|
#define f_global_interpind2d GLOBAL_INTERPIND2D
|
||||||
#define f_global_interpind1d GLOBAL_INTERPIND1D
|
#define f_global_interpind1d GLOBAL_INTERPIND1D
|
||||||
#define f_l2normhelper L2NORMHELPER
|
#define f_l2normhelper L2NORMHELPER
|
||||||
#define f_l2normhelper_sh L2NORMHELPER_SH
|
#define f_l2normhelper7 L2NORMHELPER7
|
||||||
#define f_l2normhelper_sh_rms L2NORMHELPER_SH_RMS
|
#define f_l2normhelper_sh L2NORMHELPER_SH
|
||||||
|
#define f_l2normhelper_sh_rms L2NORMHELPER_SH_RMS
|
||||||
#define f_average AVERAGE
|
#define f_average AVERAGE
|
||||||
#define f_average3 AVERAGE3
|
#define f_average3 AVERAGE3
|
||||||
#define f_average2 AVERAGE2
|
#define f_average2 AVERAGE2
|
||||||
@@ -70,9 +72,10 @@
|
|||||||
#define f_global_interpind global_interpind_
|
#define f_global_interpind global_interpind_
|
||||||
#define f_global_interpind2d global_interpind2d_
|
#define f_global_interpind2d global_interpind2d_
|
||||||
#define f_global_interpind1d global_interpind1d_
|
#define f_global_interpind1d global_interpind1d_
|
||||||
#define f_l2normhelper l2normhelper_
|
#define f_l2normhelper l2normhelper_
|
||||||
#define f_l2normhelper_sh l2normhelper_sh_
|
#define f_l2normhelper7 l2normhelper7_
|
||||||
#define f_l2normhelper_sh_rms l2normhelper_sh_rms_
|
#define f_l2normhelper_sh l2normhelper_sh_
|
||||||
|
#define f_l2normhelper_sh_rms l2normhelper_sh_rms_
|
||||||
#define f_average average_
|
#define f_average average_
|
||||||
#define f_average3 average3_
|
#define f_average3 average3_
|
||||||
#define f_average2 average2_
|
#define f_average2 average2_
|
||||||
@@ -156,21 +159,30 @@ extern "C"
|
|||||||
int *, double *, int &, int &);
|
int *, double *, int &, int &);
|
||||||
}
|
}
|
||||||
|
|
||||||
extern "C"
|
extern "C"
|
||||||
{
|
{
|
||||||
void f_l2normhelper(int *, double *, double *, double *,
|
void f_l2normhelper(int *, double *, double *, double *,
|
||||||
double &, double &, double &,
|
double &, double &, double &,
|
||||||
double &, double &, double &,
|
double &, double &, double &,
|
||||||
double *, double &, int &);
|
double *, double &, int &);
|
||||||
}
|
}
|
||||||
|
|
||||||
extern "C"
|
extern "C"
|
||||||
{
|
{
|
||||||
void f_l2normhelper_sh(int *, double *, double *, double *,
|
void f_l2normhelper7(int *, double *, double *, double *,
|
||||||
double &, double &, double &,
|
double &, double &, double &,
|
||||||
double &, double &, double &,
|
double &, double &, double &,
|
||||||
double *, double &, int &, int &, int &);
|
double *, double *, double *, double *,
|
||||||
}
|
double *, double *, double *, double *, int &);
|
||||||
|
}
|
||||||
|
|
||||||
|
extern "C"
|
||||||
|
{
|
||||||
|
void f_l2normhelper_sh(int *, double *, double *, double *,
|
||||||
|
double &, double &, double &,
|
||||||
|
double &, double &, double &,
|
||||||
|
double *, double &, int &, int &, int &);
|
||||||
|
}
|
||||||
|
|
||||||
extern "C"
|
extern "C"
|
||||||
{
|
{
|
||||||
|
|||||||
@@ -2,7 +2,7 @@
|
|||||||
#ifndef MICRODEF_H
|
#ifndef MICRODEF_H
|
||||||
#define MICRODEF_H
|
#define MICRODEF_H
|
||||||
|
|
||||||
#include "microdef.fh"
|
#include "macrodef.fh"
|
||||||
|
|
||||||
// application parameters
|
// application parameters
|
||||||
|
|
||||||
|
|||||||
@@ -1,11 +1,25 @@
|
|||||||
|
|
||||||
|
|
||||||
include makefile.inc
|
include makefile.inc
|
||||||
|
|
||||||
.SUFFIXES: .o .f90 .C .for .cu
|
## polint(ordn=6) kernel selector:
|
||||||
|
## 1 (default): barycentric fast path
|
||||||
.f90.o:
|
## 0 : fallback to Neville path
|
||||||
$(f90) $(f90appflags) -c $< -o $@
|
POLINT6_USE_BARY ?= 1
|
||||||
|
POLINT6_FLAG = -DPOLINT6_USE_BARYCENTRIC=$(POLINT6_USE_BARY)
|
||||||
|
|
||||||
|
ARCH_OPT = -march=x86-64-v4
|
||||||
|
CXXAPPFLAGS = -O3 $(ARCH_OPT) -fp-model fast=2 -fma -ipo \
|
||||||
|
-Dfortran3 -Dnewc -I${MKLROOT}/include
|
||||||
|
f90appflags = -O3 $(ARCH_OPT) -fp-model fast=2 -fma -ipo \
|
||||||
|
-align array64byte -fpp -I${MKLROOT}/include $(POLINT6_FLAG)
|
||||||
|
TP_OPTFLAGS = -O3 $(ARCH_OPT) -fp-model fast=2 -fma -ipo \
|
||||||
|
-Dfortran3 -Dnewc -I${MKLROOT}/include
|
||||||
|
|
||||||
|
.SUFFIXES: .o .f90 .C .for .cu
|
||||||
|
|
||||||
|
.f90.o:
|
||||||
|
$(f90) $(f90appflags) -c $< -o $@
|
||||||
|
|
||||||
.C.o:
|
.C.o:
|
||||||
${CXX} $(CXXAPPFLAGS) -c $< $(filein) -o $@
|
${CXX} $(CXXAPPFLAGS) -c $< $(filein) -o $@
|
||||||
@@ -13,8 +27,14 @@ include makefile.inc
|
|||||||
.for.o:
|
.for.o:
|
||||||
$(f77) -c $< -o $@
|
$(f77) -c $< -o $@
|
||||||
|
|
||||||
.cu.o:
|
.cu.o:
|
||||||
$(Cu) $(CUDA_APP_FLAGS) -c $< -o $@ $(CUDA_LIB_PATH)
|
$(Cu) $(CUDA_APP_FLAGS) -c $< -o $@ $(CUDA_LIB_PATH)
|
||||||
|
|
||||||
|
TwoPunctures.o: TwoPunctures.C
|
||||||
|
${CXX} $(TP_OPTFLAGS) -qopenmp -c $< -o $@
|
||||||
|
|
||||||
|
TwoPunctureABE.o: TwoPunctureABE.C
|
||||||
|
${CXX} $(TP_OPTFLAGS) -qopenmp -c $< -o $@
|
||||||
|
|
||||||
# Input files
|
# Input files
|
||||||
C++FILES = ABE.o Ansorg.o Block.o misc.o monitor.o Parallel.o MPatch.o var.o\
|
C++FILES = ABE.o Ansorg.o Block.o misc.o monitor.o Parallel.o MPatch.o var.o\
|
||||||
@@ -95,8 +115,8 @@ ABE: $(C++FILES) $(F90FILES) $(F77FILES) $(AHFDOBJS)
|
|||||||
ABEGPU: $(C++FILES_GPU) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILES)
|
ABEGPU: $(C++FILES_GPU) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILES)
|
||||||
$(CLINKER) $(CXXAPPFLAGS) -o $@ $(C++FILES_GPU) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILES) $(LDLIBS)
|
$(CLINKER) $(CXXAPPFLAGS) -o $@ $(C++FILES_GPU) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILES) $(LDLIBS)
|
||||||
|
|
||||||
TwoPunctureABE: $(TwoPunctureFILES)
|
TwoPunctureABE: $(TwoPunctureFILES)
|
||||||
$(CLINKER) $(CXXAPPFLAGS) -o $@ $(TwoPunctureFILES) $(LDLIBS)
|
$(CLINKER) $(TP_OPTFLAGS) -qopenmp -o $@ $(TwoPunctureFILES) $(LDLIBS)
|
||||||
|
|
||||||
clean:
|
clean:
|
||||||
rm *.o ABE ABEGPU TwoPunctureABE make.log -f
|
rm *.o ABE ABEGPU TwoPunctureABE make.log -f
|
||||||
|
|||||||
@@ -1,19 +1,32 @@
|
|||||||
|
|
||||||
|
## GCC version (commented out)
|
||||||
## filein = -I/usr/include -I/usr/lib/x86_64-linux-gnu/mpich/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/
|
## filein = -I/usr/include -I/usr/lib/x86_64-linux-gnu/mpich/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/
|
||||||
|
## filein = -I/usr/include/ -I/usr/include/openmpi-x86_64/ -I/usr/lib/x86_64-linux-gnu/openmpi/include/ -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/
|
||||||
|
## LDLIBS = -L/usr/lib/x86_64-linux-gnu -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -lmpi -lgfortran
|
||||||
|
|
||||||
filein = -I/usr/include/ -I/usr/include/openmpi-x86_64/ -I/usr/lib/x86_64-linux-gnu/openmpi/include/ -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/
|
## Intel oneAPI version with oneMKL
|
||||||
|
filein = -I/usr/include/ -I${MKLROOT}/include
|
||||||
|
|
||||||
## LDLIBS = -L/usr/lib/x86_64-linux-gnu -lmpich -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran
|
## Use sequential oneMKL to avoid introducing extra OpenMP behavior into ABE.
|
||||||
LDLIBS = -L/usr/lib/x86_64-linux-gnu -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -lmpi -lgfortran
|
LDLIBS = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lifcore -limf -lpthread -lm -ldl -liomp5
|
||||||
|
|
||||||
CXXAPPFLAGS = -O0 -Wno-deprecated -Dfortran3 -Dnewc
|
## Optional Intel oneTBB allocator, kept aligned with main's build environment.
|
||||||
#f90appflags = -O0 -fpp
|
USE_TBBMALLOC ?= 1
|
||||||
f90appflags = -O0 -x f95-cpp-input
|
TBBMALLOC_SO ?= /home/intel/oneapi/2025.3/lib/libtbbmalloc.so
|
||||||
f90 = gfortran
|
ifneq ($(wildcard $(TBBMALLOC_SO)),)
|
||||||
f77 = gfortran
|
TBBMALLOC_LIBS = -Wl,--no-as-needed $(TBBMALLOC_SO) -Wl,--as-needed
|
||||||
CXX = g++
|
else
|
||||||
CC = gcc
|
TBBMALLOC_LIBS = -Wl,--no-as-needed -ltbbmalloc -Wl,--as-needed
|
||||||
CLINKER = mpic++
|
endif
|
||||||
|
ifeq ($(USE_TBBMALLOC),1)
|
||||||
|
LDLIBS := $(TBBMALLOC_LIBS) $(LDLIBS)
|
||||||
|
endif
|
||||||
|
|
||||||
|
f90 = ifx
|
||||||
|
f77 = ifx
|
||||||
|
CXX = icpx
|
||||||
|
CC = icx
|
||||||
|
CLINKER = mpiicpx
|
||||||
|
|
||||||
Cu = nvcc
|
Cu = nvcc
|
||||||
CUDA_LIB_PATH = -L/usr/lib/cuda/lib64 -I/usr/include -I/usr/lib/cuda/include
|
CUDA_LIB_PATH = -L/usr/lib/cuda/lib64 -I/usr/include -I/usr/lib/cuda/include
|
||||||
|
|||||||
12
parallel_plot_helper.py
Normal file
12
parallel_plot_helper.py
Normal file
@@ -0,0 +1,12 @@
|
|||||||
|
import multiprocessing
|
||||||
|
|
||||||
|
|
||||||
|
def run_plot_task(task):
|
||||||
|
func, args = task
|
||||||
|
return func(*args)
|
||||||
|
|
||||||
|
|
||||||
|
def run_plot_tasks_parallel(plot_tasks):
|
||||||
|
ctx = multiprocessing.get_context('fork')
|
||||||
|
with ctx.Pool() as pool:
|
||||||
|
pool.map(run_plot_task, plot_tasks)
|
||||||
@@ -8,11 +8,13 @@
|
|||||||
##
|
##
|
||||||
#################################################
|
#################################################
|
||||||
|
|
||||||
import numpy ## numpy for array operations
|
import numpy ## numpy for array operations
|
||||||
import scipy ## scipy for interpolation and signal processing
|
import scipy ## scipy for interpolation and signal processing
|
||||||
import math
|
import math
|
||||||
import matplotlib.pyplot as plt ## matplotlib for plotting
|
import matplotlib
|
||||||
import os ## os for system/file operations
|
matplotlib.use('Agg') ## use non-interactive backend for multiprocessing safety
|
||||||
|
import matplotlib.pyplot as plt ## matplotlib for plotting
|
||||||
|
import os ## os for system/file operations
|
||||||
|
|
||||||
import AMSS_NCKU_Input as input_data
|
import AMSS_NCKU_Input as input_data
|
||||||
|
|
||||||
|
|||||||
@@ -6,17 +6,22 @@
|
|||||||
## Author: Xiaoqu
|
## Author: Xiaoqu
|
||||||
## Dates: 2024/10/01 --- 2025/09/14
|
## Dates: 2024/10/01 --- 2025/09/14
|
||||||
##
|
##
|
||||||
#################################################
|
#################################################
|
||||||
|
|
||||||
import numpy
|
## Restrict OpenMP to one thread per process so that parallel
|
||||||
import scipy
|
## subprocess plotting does not multiply BLAS thread counts.
|
||||||
import matplotlib.pyplot as plt
|
import os
|
||||||
from matplotlib.colors import LogNorm
|
os.environ.setdefault("OMP_NUM_THREADS", "1")
|
||||||
from mpl_toolkits.mplot3d import Axes3D
|
|
||||||
## import torch
|
import numpy
|
||||||
import AMSS_NCKU_Input as input_data
|
import scipy
|
||||||
|
import matplotlib
|
||||||
import os
|
matplotlib.use('Agg') ## use non-interactive backend for multiprocessing safety
|
||||||
|
import matplotlib.pyplot as plt
|
||||||
|
from matplotlib.colors import LogNorm
|
||||||
|
from mpl_toolkits.mplot3d import Axes3D
|
||||||
|
## import torch
|
||||||
|
import AMSS_NCKU_Input as input_data
|
||||||
|
|
||||||
|
|
||||||
#########################################################################################
|
#########################################################################################
|
||||||
@@ -92,9 +97,9 @@ def plot_binary_data( filename, binary_outdir, figure_outdir ):
|
|||||||
|
|
||||||
|
|
||||||
|
|
||||||
####################################################################################
|
####################################################################################
|
||||||
|
|
||||||
# Plot a single binary dataset (2D slices and 3D surface)
|
# Plot a single binary dataset (2D slices and 3D surface)
|
||||||
|
|
||||||
def get_data_xy( Rmin, Rmax, n, data0, time, figure_title, figure_outdir ):
|
def get_data_xy( Rmin, Rmax, n, data0, time, figure_title, figure_outdir ):
|
||||||
|
|
||||||
@@ -188,7 +193,15 @@ def get_data_xy( Rmin, Rmax, n, data0, time, figure_title, figure_outdir ):
|
|||||||
plt.savefig( os.path.join(figure_surfaceplot_outdir, figure_title + " time = " + str(time) + " surface_plot.pdf") ) # save figure
|
plt.savefig( os.path.join(figure_surfaceplot_outdir, figure_title + " time = " + str(time) + " surface_plot.pdf") ) # save figure
|
||||||
plt.close()
|
plt.close()
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|
||||||
####################################################################################
|
####################################################################################
|
||||||
|
|
||||||
|
## Allow standalone subprocess execution for parallel binary-data plotting.
|
||||||
|
if __name__ == '__main__':
|
||||||
|
import sys
|
||||||
|
if len(sys.argv) != 4:
|
||||||
|
print(f"Usage: {sys.argv[0]} <filename> <binary_outdir> <figure_outdir>")
|
||||||
|
sys.exit(1)
|
||||||
|
plot_binary_data(sys.argv[1], sys.argv[2], sys.argv[3])
|
||||||
|
|
||||||
|
|||||||
@@ -6,15 +6,20 @@
|
|||||||
## 2024/10/01 --- 2025/09/14
|
## 2024/10/01 --- 2025/09/14
|
||||||
##
|
##
|
||||||
#################################################
|
#################################################
|
||||||
|
|
||||||
import numpy ## numpy for array operations
|
import numpy ## numpy for array operations
|
||||||
import matplotlib.pyplot as plt ## matplotlib for plotting
|
import matplotlib
|
||||||
from mpl_toolkits.mplot3d import Axes3D ## needed for 3D plots
|
matplotlib.use('Agg') ## use non-interactive backend for multiprocessing safety
|
||||||
import glob
|
import matplotlib.pyplot as plt ## matplotlib for plotting
|
||||||
import os ## operating system utilities
|
from mpl_toolkits.mplot3d import Axes3D ## needed for 3D plots
|
||||||
|
import glob
|
||||||
import plot_binary_data
|
import os ## operating system utilities
|
||||||
import AMSS_NCKU_Input as input_data
|
|
||||||
|
import plot_binary_data
|
||||||
|
import AMSS_NCKU_Input as input_data
|
||||||
|
import subprocess
|
||||||
|
import sys
|
||||||
|
import multiprocessing
|
||||||
|
|
||||||
# plt.rcParams['text.usetex'] = True ## enable LaTeX fonts in plots
|
# plt.rcParams['text.usetex'] = True ## enable LaTeX fonts in plots
|
||||||
|
|
||||||
@@ -50,13 +55,37 @@ def generate_binary_data_plot( binary_outdir, figure_outdir ):
|
|||||||
file_list.append(x)
|
file_list.append(x)
|
||||||
print(x)
|
print(x)
|
||||||
|
|
||||||
## Plot each file in the list
|
## Plot each file in parallel using subprocesses.
|
||||||
for filename in file_list:
|
## Each subprocess starts with BLAS thread limits in plot_binary_data.py.
|
||||||
print(filename)
|
script = os.path.join( os.path.dirname(__file__), "plot_binary_data.py" )
|
||||||
plot_binary_data.plot_binary_data(filename, binary_outdir, figure_outdir)
|
max_workers = min( multiprocessing.cpu_count(), len(file_list) ) if file_list else 0
|
||||||
|
|
||||||
print( )
|
running = []
|
||||||
print( " Binary Data Plot Has been Finished " )
|
failed = []
|
||||||
|
for filename in file_list:
|
||||||
|
print(filename)
|
||||||
|
proc = subprocess.Popen(
|
||||||
|
[sys.executable, script, filename, binary_outdir, figure_outdir],
|
||||||
|
)
|
||||||
|
running.append( (proc, filename) )
|
||||||
|
if len(running) >= max_workers:
|
||||||
|
p, fn = running.pop(0)
|
||||||
|
p.wait()
|
||||||
|
if p.returncode != 0:
|
||||||
|
failed.append(fn)
|
||||||
|
|
||||||
|
for p, fn in running:
|
||||||
|
p.wait()
|
||||||
|
if p.returncode != 0:
|
||||||
|
failed.append(fn)
|
||||||
|
|
||||||
|
if failed:
|
||||||
|
print( " WARNING: the following binary data plots failed:" )
|
||||||
|
for fn in failed:
|
||||||
|
print( " ", fn )
|
||||||
|
|
||||||
|
print( )
|
||||||
|
print( " Binary Data Plot Has been Finished " )
|
||||||
print( )
|
print( )
|
||||||
|
|
||||||
return
|
return
|
||||||
|
|||||||
Reference in New Issue
Block a user