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https://github.com/TREX-CoE/Sherman-Morrison.git
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Merge pull request #31 from fmgjcoppens/add/slagel_to_ma3
Adding Slagel-splitting to Maponi algorithm 3
This commit is contained in:
commit
ff1f5655e5
2
Makefile
2
Makefile
@ -34,7 +34,7 @@ DEPS_CXX = $(OBJ_DIR)/SM_MaponiA3.o \
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$(OBJ_DIR)/SM_Standard.o \
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$(OBJ_DIR)/SM_Helpers.o
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DEPS_F = $(DEPS_CXX) \
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$(OBJ_DIR)/SM_MaponiA3_mod.o \
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$(OBJ_DIR)/SM_mod.o \
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$(OBJ_DIR)/Helpers_mod.o
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## Directory structure
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@ -21,7 +21,7 @@ DEPS_CXX = $(OBJ_DIR)/SM_MaponiA3.o \
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$(OBJ_DIR)/SM_Standard.o \
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$(OBJ_DIR)/SM_Helpers.o
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DEPS_F = $(DEPS_CXX) \
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$(OBJ_DIR)/SM_MaponiA3_mod.o \
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$(OBJ_DIR)/SM_mod.o \
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$(OBJ_DIR)/Helpers_mod.o
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FLIBS = -lstdc++
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@ -1,5 +1,5 @@
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#START_PACKET
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#CYCLE_ID: 13
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#CYCLE_ID: 1
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#SLATER_MATRIX_DIM: 21
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#NUPDATES: 3
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#SLATER_MATRIX: (i (outer), j (inner)), slater_matrix_alpha(i,j), ddet * slater_matrix_alpha_inv_det(i,j) / ddet
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@ -513,7 +513,7 @@
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#END_PACKET
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#START_PACKET
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#CYCLE_ID: 8169
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#CYCLE_ID: 2
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#SLATER_MATRIX_DIM: 4
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#NUPDATES: 2
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#SLATER_MATRIX: (i (outer), j (inner)), slater_matrix_alpha(i,j), ddet * slater_matrix_alpha_inv_det(i,j) / ddet
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@ -544,3 +544,31 @@
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#COL_UPDATE_COMP_(03): 0.000000000000000E+00
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#COL_UPDATE_COMP_(04): -1.000000000000000E+00
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#END_PACKET
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#START_PACKET
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#CYCLE_ID: 3
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#SLATER_MATRIX_DIM: 3
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#NUPDATES: 3
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#SLATER_MATRIX: (i (outer), j (inner)), slater_matrix_alpha(i,j), ddet * slater_matrix_alpha_inv_det(i,j) / ddet
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(01,01) 1.000000000000000E+00 1.000000000000000E+00
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(01,02) 0.000000000000000E+00 0.000000000000000E+00
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(01,03) 0.000000000000000E+00 0.000000000000000E+00
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(02,01) 0.000000000000000E+00 0.000000000000000E+00
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(02,02) 1.000000000000000E+00 1.000000000000000E+00
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(02,03) 0.000000000000000E+00 0.000000000000000E+00
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(03,01) 0.000000000000000E+00 0.000000000000000E+00
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(03,02) 0.000000000000000E+00 0.000000000000000E+00
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(03,03) -1.000000000000000E+00 -1.000000000000000E+00
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#COL_UPDATE_INDEX: 1
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#COL_UPDATE_COMP_(01): 1.000000000000000E+00
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#COL_UPDATE_COMP_(02): 1.000000000000000E+00
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#COL_UPDATE_COMP_(03): -1.000000000000000E+00
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#COL_UPDATE_INDEX: 2
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#COL_UPDATE_COMP_(01): 1.000000000000000E+00
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#COL_UPDATE_COMP_(02): 1.000000000000000E+00
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#COL_UPDATE_COMP_(03): 0.000000000000000E+00
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#COL_UPDATE_INDEX: 3
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#COL_UPDATE_COMP_(01): 1.000000000000000E+00
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#COL_UPDATE_COMP_(02): 0.000000000000000E+00
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#COL_UPDATE_COMP_(03): -1.000000000000000E+00
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#END_PACKET
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Binary file not shown.
@ -79,6 +79,7 @@ void MaponiA3(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
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if (fabs(beta) < threshold()) {
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std::cerr << "Break-down occured." << std::endl;
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}
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double ibeta = 1.0 / beta;
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// Compute intermediate update to Slater_inv
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#ifdef DEBUG
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@ -93,7 +94,7 @@ void MaponiA3(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
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for (i = 0; i < Dim; i++) {
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for (j = 0; j < Dim; j++) {
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Al[i * Dim + j] =
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(i == j) - (j == component - 1) * ylk[l][p[l + 1]][i + 1] / beta;
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(i == j) - (j == component - 1) * ylk[l][p[l + 1]][i + 1] * ibeta;
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}
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}
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matMul(Al, last, next, Dim);
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@ -106,7 +107,7 @@ void MaponiA3(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
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// For given l != 0 compute the next {y_{l,k}}
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for (k = l + 2; k < N_updates + 1; k++) {
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alpha = ylk[l][p[k]][component] / beta;
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alpha = ylk[l][p[k]][component] * ibeta;
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#ifdef DEBUG
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std::cout << "Inside k-loop: k = " << k << std::endl;
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std::cout << "ylk[" << l + 1 << "][" << p[k] << "][:]" << std::endl;
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@ -129,13 +130,13 @@ void MaponiA3(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
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}
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delete[] ylk[l];
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}
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delete[] Al, next, p;
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delete[] Al, next, p, ylk;
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}
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extern "C" {
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void MaponiA3_f(double **linSlater_inv, unsigned int *Dim,
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unsigned int *N_updates, double **linUpdates,
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unsigned int **Updates_index) {
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MaponiA3(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
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}
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void MaponiA3_f(double **linSlater_inv, unsigned int *Dim,
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unsigned int *N_updates, double **linUpdates,
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unsigned int **Updates_index) {
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MaponiA3(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
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}
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}
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@ -11,7 +11,7 @@ void MaponiA3S(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
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/*
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DECLARE AND INITIALISE ARRAYS
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*/
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showVector(Updates_index, Dim, "Updates_index");
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unsigned int k, l, i, j, component;
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unsigned int *p = new unsigned int[N_updates + 1]{0};
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double alpha, beta;
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@ -19,6 +19,10 @@ void MaponiA3S(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
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double *next = new double[Dim * Dim]{0};
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double *last = Slater_inv, *tmp;
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double later_updates[Dim * N_updates];
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unsigned int later_index[N_updates];
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unsigned int later = 0;
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// Populate update-order vector
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for (i = 0; i < N_updates; i++) {
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p[i + 1] = i + 1;
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@ -36,13 +40,14 @@ void MaponiA3S(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
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/*
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START ALGORITHM
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*/
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showMatrix(Slater_inv, Dim, "S^{-1}");
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// Calculate the {y_{0,k}}
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// Calculate the y_{0,k} = S_0^{-1} u_k
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for (k = 1; k < N_updates + 1; k++) {
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#ifdef DEBUG
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std::cout << "Compute y0k: " << std::endl;
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std::cout << "ylk[0][" << k << "][:]";
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std::cout << std::endl;
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std::cerr << "Compute y0k: " << std::endl;
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std::cerr << "ylk[0][" << k << "][:]";
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std::cerr << std::endl;
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#endif
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for (i = 1; i < Dim + 1; i++) {
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for (j = 1; j < Dim + 1; j++) {
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@ -51,15 +56,15 @@ void MaponiA3S(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
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}
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}
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#ifdef DEBUG
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showVector(ylk[0][k], Dim, "");
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showVector(ylk[0][k], Dim+1, "");
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#endif
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}
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// Calculate the {y_{l,k}} from the {y_{0,k}}
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for (l = 0; l < N_updates; l++) {
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#ifdef DEBUG
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std::cout << "In outer compute-ylk-loop: l = " << l << std::endl;
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std::cout << std::endl;
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std::cerr << "In outer compute-ylk-loop: l = " << l << std::endl;
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std::cerr << std::endl;
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#endif
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// For given l select intermediate update with largest break-down val
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@ -69,64 +74,68 @@ void MaponiA3S(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
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component = Updates_index[p[l + 1] - 1];
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beta = 1 + ylk[l][p[l + 1]][component];
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#ifdef DEBUG
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std::cout << "p[l+1] = " << p[l + 1] << std::endl;
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std::cout << "component = " << component << std::endl;
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std::cout << "beta = 1 + ylk[" << l << "][" << p[l + 1] << "][" << component
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std::cerr << "p[l+1] = " << p[l + 1] << std::endl;
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std::cerr << "component = " << component << std::endl;
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std::cerr << "beta = 1 + ylk[" << l << "][" << p[l + 1] << "][" << component
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<< "] = " << beta << std::endl;
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std::cout << std::endl;
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std::cerr << std::endl;
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#endif
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if (fabs(beta) < threshold()) {
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std::cerr << "Breakdown condition triggered at " << component
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#ifdef DEBUG
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std::cerr << "Breakdown condition triggered at l = " << l << " and component "<< component
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<< std::endl;
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// for (unsigned int i = 0; i < Dim; i++) {
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// later_updates[later * Dim + i] = Updates[l * Dim + i] / 2.0;
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// ylk[l][p[l + 1]][i] /= 2.0;
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// }
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// later_index[later] = Updates_index[l];
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// later++;
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// den = 1 + C[Updates_index[l] - 1];
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// }
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// double iden = 1 / den;
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#endif
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for (unsigned int i = 1; i < Dim + 1; i++) {
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std::cout << "Let's split..." << std::endl;
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ylk[l][p[l + 1]][i] *= 0.5;
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// later_updates[later * Dim + i - 1] = ylk[l][p[l + 1]][i]; // Updates[l * Dim + i] * 0.5;
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later_updates[later * Dim + i - 1] = Updates[l * Dim + i - 1] * 0.5;
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}
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later_index[later] = Updates_index[p[l + 1] - 1];
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std::cout << "Later = " << later << std::endl;
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later++;
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std::cout << "Later = " << later << std::endl;
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beta = 1 + ylk[l][p[l + 1]][component];
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std::cout << "New beta is: " << beta << std::endl;
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}
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double ibeta = 1.0 / beta;
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showVector(ylk[l][p[l + 1]], Dim+1, "");
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showVector(later_updates+(Dim*0), Dim, "later_updateds");
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// Compute intermediate update to Slater_inv
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#ifdef DEBUG
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std::cout << "Compute intermediate update to Slater_inv" << std::endl;
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std::cout << "component = " << component << std::endl;
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std::cout << "beta = 1 + ylk[" << l << "][" << p[l + 1] << "][" << component
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std::cerr << "Compute intermediate update to Slater_inv" << std::endl;
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std::cerr << "component = " << component << std::endl;
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std::cerr << "beta = 1 + ylk[" << l << "][" << p[l + 1] << "][" << component
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<< "]" << std::endl;
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std::cout << "ylk[l][p[k]][:] = ylk[" << l << "][" << p[l + 1] << "][:]"
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std::cerr << "ylk[l][p[k]][:] = ylk[" << l << "][" << p[l + 1] << "][:]"
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<< std::endl;
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std::cout << std::endl;
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std::cerr << std::endl;
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#endif
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for (i = 0; i < Dim; i++) {
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for (j = 0; j < Dim; j++) {
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Al[i * Dim + j] =
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(i == j) - (j == component - 1) * ylk[l][p[l + 1]][i + 1] / beta;
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(i == j) - (j == component - 1) * ylk[l][p[l + 1]][i + 1] * ibeta;
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}
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}
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matMul(Al, last, next, Dim);
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tmp = next;
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next = last;
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last = tmp;
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matMul(Al, last, next, Dim); tmp = next; next = last; last = tmp;
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#ifdef DEBUG
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showMatrix(last, Dim, "last");
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#endif
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// For given l != 0 compute the next {y_{l,k}}
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for (k = l + 2; k < N_updates + 1; k++) {
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alpha = ylk[l][p[k]][component] / beta;
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alpha = ylk[l][p[k]][component] * ibeta;
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#ifdef DEBUG
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std::cout << "Inside k-loop: k = " << k << std::endl;
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std::cout << "ylk[" << l + 1 << "][" << p[k] << "][:]" << std::endl;
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std::cout << std::endl;
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std::cerr << "Inside k-loop: k = " << k << std::endl;
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std::cerr << "ylk[" << l + 1 << "][" << p[k] << "][:]";
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std::cerr << std::endl;
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#endif
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for (i = 1; i < Dim + 1; i++) {
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ylk[l + 1][p[k]][i] = ylk[l][p[k]][i] - alpha * ylk[l][p[l + 1]][i];
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}
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showVector(ylk[l + 1][p[k]], Dim+1, "");
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}
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}
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memcpy(Slater_inv, last, Dim * Dim * sizeof(double));
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@ -141,13 +150,19 @@ void MaponiA3S(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
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}
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delete[] ylk[l];
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}
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delete[] Al, next, p;
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delete[] Al, next, p, ylk;
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if (later > 0) {
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std::cerr << "Entering recursive loop with " << later << " updates" << std::endl;
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std::cout << later_index[0] << std::endl;
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MaponiA3S(Slater_inv, Dim, later, later_updates, later_index);
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}
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}
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extern "C" {
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void MaponiA3S_f(double **linSlater_inv, unsigned int *Dim,
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unsigned int *N_updates, double **linUpdates,
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unsigned int **Updates_index) {
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MaponiA3S(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
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}
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void MaponiA3S_f(double **linSlater_inv, unsigned int *Dim,
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unsigned int *N_updates, double **linUpdates,
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unsigned int **Updates_index) {
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MaponiA3S(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
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}
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}
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@ -1,12 +0,0 @@
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module Sherman_Morrison
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use, intrinsic :: iso_c_binding, only : c_int, c_double
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interface
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subroutine MaponiA3(Slater_inv, dim, n_updates, Updates, Updates_index) bind(C, name="MaponiA3_f")
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use, intrinsic :: iso_c_binding, only : c_int, c_double
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integer(c_int), intent(in) :: dim, n_updates
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integer(c_int), dimension(:), allocatable, intent(in) :: Updates_index
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real(c_double), dimension(:,:), allocatable, intent(in) :: Updates
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real(c_double), dimension(:,:), allocatable, intent(in out) :: Slater_inv
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end subroutine MaponiA3
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end interface
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end module Sherman_Morrison
|
@ -162,7 +162,8 @@ void SM3(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
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// If all the updates have failed, exit early with an error
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if (later == N_updates) {
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std::cerr << "SM3 cannot invert this matrix" << std::endl;
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std::cerr << "SM3 cannot invert matrix." << std::endl;
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showMatrix(Slater_inv, Dim, "Slater_inverse");
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return;
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}
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// If some have failed, make a recursive call
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@ -170,3 +171,23 @@ void SM3(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
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SM3(Slater_inv, Dim, later, later_updates, later_index);
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}
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}
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extern "C" {
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void SM1_f(double **linSlater_inv, unsigned int *Dim,
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unsigned int *N_updates, double **linUpdates,
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unsigned int **Updates_index) {
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SM1(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
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}
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void SM2_f(double **linSlater_inv, unsigned int *Dim,
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unsigned int *N_updates, double **linUpdates,
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unsigned int **Updates_index) {
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SM2(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
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}
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void SM3_f(double **linSlater_inv, unsigned int *Dim,
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unsigned int *N_updates, double **linUpdates,
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unsigned int **Updates_index) {
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SM3(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
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||||
}
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||||
}
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|
40
src/SM_mod.f90
Normal file
40
src/SM_mod.f90
Normal file
@ -0,0 +1,40 @@
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module Sherman_Morrison
|
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use, intrinsic :: iso_c_binding, only : c_int, c_double
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interface
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subroutine MaponiA3(Slater_inv, dim, n_updates, Updates, Updates_index) bind(C, name="MaponiA3_f")
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use, intrinsic :: iso_c_binding, only : c_int, c_double
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integer(c_int), intent(in) :: dim, n_updates
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integer(c_int), dimension(:), allocatable, intent(in) :: Updates_index
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real(c_double), dimension(:,:), allocatable, intent(in) :: Updates
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real(c_double), dimension(:,:), allocatable, intent(in out) :: Slater_inv
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end subroutine MaponiA3
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subroutine MaponiA3S(Slater_inv, dim, n_updates, Updates, Updates_index) bind(C, name="MaponiA3S_f")
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use, intrinsic :: iso_c_binding, only : c_int, c_double
|
||||
integer(c_int), intent(in) :: dim, n_updates
|
||||
integer(c_int), dimension(:), allocatable, intent(in) :: Updates_index
|
||||
real(c_double), dimension(:,:), allocatable, intent(in) :: Updates
|
||||
real(c_double), dimension(:,:), allocatable, intent(in out) :: Slater_inv
|
||||
end subroutine MaponiA3S
|
||||
subroutine SM1(Slater_inv, dim, n_updates, Updates, Updates_index) bind(C, name="SM1_f")
|
||||
use, intrinsic :: iso_c_binding, only : c_int, c_double
|
||||
integer(c_int), intent(in) :: dim, n_updates
|
||||
integer(c_int), dimension(:), allocatable, intent(in) :: Updates_index
|
||||
real(c_double), dimension(:,:), allocatable, intent(in) :: Updates
|
||||
real(c_double), dimension(:,:), allocatable, intent(in out) :: Slater_inv
|
||||
end subroutine SM1
|
||||
subroutine SM2(Slater_inv, dim, n_updates, Updates, Updates_index) bind(C, name="SM2_f")
|
||||
use, intrinsic :: iso_c_binding, only : c_int, c_double
|
||||
integer(c_int), intent(in) :: dim, n_updates
|
||||
integer(c_int), dimension(:), allocatable, intent(in) :: Updates_index
|
||||
real(c_double), dimension(:,:), allocatable, intent(in) :: Updates
|
||||
real(c_double), dimension(:,:), allocatable, intent(in out) :: Slater_inv
|
||||
end subroutine SM2
|
||||
subroutine SM3(Slater_inv, dim, n_updates, Updates, Updates_index) bind(C, name="SM3_f")
|
||||
use, intrinsic :: iso_c_binding, only : c_int, c_double
|
||||
integer(c_int), intent(in) :: dim, n_updates
|
||||
integer(c_int), dimension(:), allocatable, intent(in) :: Updates_index
|
||||
real(c_double), dimension(:,:), allocatable, intent(in) :: Updates
|
||||
real(c_double), dimension(:,:), allocatable, intent(in out) :: Slater_inv
|
||||
end subroutine SM3
|
||||
end interface
|
||||
end module Sherman_Morrison
|
@ -57,12 +57,12 @@ program QMCChem_dataset_test
|
||||
!! S_inv needs to be transposed first before it
|
||||
!! goes to MaponiA3
|
||||
call Transpose(S_inv, S_inv_t, dim)
|
||||
call MaponiA3(S_inv_t, dim, n_updates, U, Updates_index)
|
||||
! call MaponiA3S(S_inv_t, dim, n_updates, U, Updates_index)
|
||||
call SM2(S_inv_t, dim, n_updates, U, Updates_index)
|
||||
!! S_inv_t needs to be transposed back before it
|
||||
!! can be multiplied with S to test unity
|
||||
call Transpose(S_inv_t, S_inv, dim)
|
||||
|
||||
|
||||
!! Write new S and S_inv to file for check in Octave
|
||||
open(unit = 4000, file = "Slater.dat")
|
||||
open(unit = 5000, file = "Slater_inv.dat")
|
||||
|
@ -12,6 +12,7 @@ ALGO=$1
|
||||
START=$2
|
||||
STOP=$3
|
||||
BLOCKSIZE=329
|
||||
TOLERANCE=1e-3
|
||||
|
||||
BLOCKS=$((STOP / BLOCKSIZE))
|
||||
LEFT=$((STOP % BLOCKSIZE))
|
||||
@ -25,17 +26,17 @@ then
|
||||
do
|
||||
BSTART=$(((i-1)*BLOCKSIZE+1))
|
||||
BSTOP=$((i*BLOCKSIZE-1))
|
||||
$TEST $ALGO $BSTART $BSTOP
|
||||
$TEST $ALGO $BSTART $BSTOP $TOLERANCE
|
||||
LAST=$i
|
||||
done
|
||||
LSTART=$((LAST*BLOCKSIZE+1))
|
||||
LSTOP=$((LSTART+LEFT-1))
|
||||
$TEST $ALGO $LSTART $LSTOP
|
||||
$TEST $ALGO $LSTART $LSTOP $TOLERANCE
|
||||
else
|
||||
for ((i=1; i<=$BLOCKS; i++))
|
||||
do
|
||||
BSTART=$(((i-1)*BLOCKSIZE+1))
|
||||
BSTOP=$((i*BLOCKSIZE-1))
|
||||
$TEST $ALGO $BSTART $BSTOP
|
||||
$TEST $ALGO $BSTART $BSTOP $TOLERANCE
|
||||
done
|
||||
fi
|
||||
|
@ -7,7 +7,7 @@
|
||||
#include "SM_Helpers.hpp"
|
||||
|
||||
using namespace H5;
|
||||
// #define DEBUG
|
||||
#define DEBUG
|
||||
|
||||
const H5std_string FILE_NAME( "dataset.hdf5" );
|
||||
|
||||
@ -46,7 +46,7 @@ void read_double(H5File file, std::string key, double * data) {
|
||||
ds.close();
|
||||
}
|
||||
|
||||
int test_cycle(H5File file, int cycle, std::string version) {
|
||||
int test_cycle(H5File file, int cycle, std::string version, double tolerance) {
|
||||
|
||||
/* Read the data */
|
||||
|
||||
@ -61,7 +61,6 @@ int test_cycle(H5File file, int cycle, std::string version) {
|
||||
|
||||
double * slater_inverse = new double[dim*dim];
|
||||
read_double(file, group + "/slater_inverse", slater_inverse);
|
||||
//slater_inverse = transpose(slater_inverse, dim);
|
||||
|
||||
unsigned int * col_update_index = new unsigned int[nupdates];
|
||||
read_int(file, group + "/col_update_index", col_update_index);
|
||||
@ -72,14 +71,11 @@ int test_cycle(H5File file, int cycle, std::string version) {
|
||||
double * u = new double[nupdates*dim];
|
||||
|
||||
/* Test */
|
||||
#ifdef DEBUG
|
||||
showMatrix(slater_matrix, dim, "OLD Slater");
|
||||
#endif
|
||||
|
||||
#ifdef DEBUG
|
||||
showMatrix(slater_inverse, dim, "OLD Inverse");
|
||||
#endif
|
||||
|
||||
// Transform replacement updates in 'updates[]' into additive updates in 'u[]'
|
||||
for (j = 0; j < nupdates; j++) {
|
||||
for (i = 0; i < dim; i++) {
|
||||
col = col_update_index[j];
|
||||
@ -88,6 +84,16 @@ int test_cycle(H5File file, int cycle, std::string version) {
|
||||
}
|
||||
}
|
||||
|
||||
#ifdef DEBUG
|
||||
showMatrix(slater_matrix, dim, "OLD Slater");
|
||||
#endif
|
||||
|
||||
#ifdef DEBUG
|
||||
showMatrix(u, dim, "Updates");
|
||||
#endif
|
||||
|
||||
|
||||
|
||||
if (version == "maponia3") {
|
||||
MaponiA3(slater_inverse, dim, nupdates, u, col_update_index);
|
||||
} else if (version == "maponia3s") {
|
||||
@ -113,7 +119,7 @@ int test_cycle(H5File file, int cycle, std::string version) {
|
||||
|
||||
double * res = new double[dim*dim] {0};
|
||||
matMul(slater_matrix, slater_inverse, res, dim);
|
||||
bool ok = is_identity(res, dim, 1e-3);
|
||||
bool ok = is_identity(res, dim, tolerance);
|
||||
|
||||
double res_max = residual_max(res, dim);
|
||||
double res2 = residual2(res, dim);
|
||||
@ -130,19 +136,20 @@ int test_cycle(H5File file, int cycle, std::string version) {
|
||||
}
|
||||
|
||||
int main(int argc, char **argv) {
|
||||
if (argc != 4) {
|
||||
if (argc != 5) {
|
||||
std::cerr << "Execute from within 'datasets/'" << std::endl;
|
||||
std::cerr << "usage: test_h5 <version> <start cycle> <stop cycle>" << std::endl;
|
||||
std::cerr << "usage: test_h5 <version> <start cycle> <stop cycle> <tolerance>" << std::endl;
|
||||
return 1;
|
||||
}
|
||||
std::string version(argv[1]);
|
||||
int start_cycle = std::stoi(argv[2]);
|
||||
int stop_cycle = std::stoi(argv[3]);
|
||||
double tolerance = std::stod(argv[4]);
|
||||
H5File file(FILE_NAME, H5F_ACC_RDONLY);
|
||||
|
||||
bool ok;
|
||||
for (int cycle = start_cycle; cycle < stop_cycle+1; cycle++) {
|
||||
ok = test_cycle(file, cycle, version);
|
||||
ok = test_cycle(file, cycle, version, tolerance);
|
||||
if (ok) {
|
||||
std::cerr << "ok -- cycle " << std::to_string(cycle)
|
||||
<< std::endl;
|
||||
|
10
todo.txt
Normal file
10
todo.txt
Normal file
@ -0,0 +1,10 @@
|
||||
-=={TODO}==-
|
||||
|
||||
* Looking at the eigenvalues of the intermediate matrix after a problematic update is
|
||||
* plotting the ratio of the moduli of the maximum and the minimum eigenvalues of
|
||||
|
||||
* Use valgrind to find the problem with MaponiA3S
|
||||
* Contact Claudia if she would be interested in sharing datasets from Champ to test with SM
|
||||
|
||||
* Make a representative selection of update cycles for presentatoin puroses
|
||||
|
Loading…
Reference in New Issue
Block a user