#include "meuk.h" #include "cycles.h" #include #define DATASET "dataset_329d_zeropadded_cm.hdf5" // #define DATASET "dataset_15784d_zeropadded_cm.hdf5" #define REPETITIONS 100000 uint64_t n_splits; uint64_t block_fail; uint64_t recursive_calls; int main(int argc, char **argv) { assert(argc == 2); char *version = argv[1]; // SETUP STORAGE AND DATA ACCESS hid_t file_id, dataset_id; herr_t status; file_id = H5Fopen(DATASET, H5F_ACC_RDONLY, H5P_DEFAULT); char nupds_key[32]; char upd_idx_key[32]; char upds_key[32]; char slater_key[32]; char slater_inv_key[32]; char det_key[32]; const uint64_t Dim = 21; const uint64_t LDS = 24; uint64_t N_updates; double Slater[LDS * Dim ], SlaterT[LDS * Dim]; double Slater_invT[LDS * Dim], Slater_invT_copy[LDS * Dim]; double determinant, determinant_copy; // SETUP TEST PARAMETERS const double breakdown = 0.001; // default = 0.001. 1e-9 might be too small const double tolerance = 0.001; // default = 0.001 double cumulative = 0; printf("#----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------\n"); printf("#1\t2\t3\t4\t\t5\t6\t\t7\t\t8\t\t9\t\t10\t\t11\t\t12\t\t13\t\t14\n"); printf("#CYCLE\tUPDS\tERR_IN\tERR_BREAK\tERR_OUT\tSPLITS\t\tBLK_FAILS\tMAX\t\tFROB\t\tCOND\t\tCPU_CYC\t\tCPU_CYC/UPD\tCUMUL\t\tREC\n"); printf("#----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------\n"); // FOR EACH UPDATE CYCLE DO: for (uint32_t cycles_index = 0; cycles_index < n_cycles; cycles_index++) { // for (uint32_t cycles_index = 0; cycles_index < 1; cycles_index++) { // for (uint32_t cycles_index = 65; cycles_index < 66; cycles_index++) { // for (uint32_t cycles_index = 8055; cycles_index < 8056; cycles_index++) { // 1. READ DATA FROM DATASET uint32_t cycle = cycles[cycles_index]; sprintf(nupds_key, "/cycle_%d/nupdates", cycle); sprintf(upd_idx_key, "/cycle_%d/col_update_index", cycle); sprintf(upds_key, "/cycle_%d/updates", cycle); sprintf(slater_key, "/cycle_%d/slater_matrix", cycle); sprintf(slater_inv_key, "/cycle_%d/slater_inverse_t", cycle); sprintf(det_key, "/cycle_%d/determinant", cycle); read_uint(file_id, nupds_key, &N_updates); uint64_t *Updates_index = malloc(N_updates * sizeof(uint64_t)); double *Updates = malloc(LDS * N_updates * sizeof(double)); read_uint(file_id, upd_idx_key, Updates_index); read_double(file_id, upds_key, Updates); read_double(file_id, slater_key, Slater); read_double(file_id, slater_inv_key, Slater_invT); read_double(file_id, det_key, &determinant); // Compute transpose of S. ST: 24 x 21 for (int i = 0; i < LDS; i++) { for (int j = 0; j < Dim; j++) { SlaterT[i * Dim + j] = Slater[j * LDS + i]; } } // Convert repl. upds into additive upds. for (int i = 0; i < N_updates; i++) { int col = Updates_index[i] - 1; for (int j = 0; j < LDS; j++) { Updates[i * LDS + j] -= SlaterT[col + j * Dim]; } } // 2. CHECK ERROR ON THE INPUT DATA AND RECORD RESULT: ERR_INPUT uint32_t err_inp = check_error(LDS, Dim, Slater_invT, SlaterT, tolerance); // Update Slater matrix for (int i = 0; i < N_updates; i++) { int col = Updates_index[i] - 1; for (int j = 0; j < Dim; j++) { SlaterT[col + j * Dim] += Updates[i * LDS + j]; } } // A this point SlaterT, Updates & the updated SlaterT are correct. Checked in GDB int32_t err_break; // 3. SET TIME- AND SPLIT ACCUMULATOR TO ZERO double accumulator = 0; double cycles_per_update = 0; n_splits = 0; block_fail = 0; recursive_calls = 0; // ## FOR A SET NUMBER OF REPETITIONS DO: for (int rep = 0; rep < REPETITIONS; rep++) { // 1. MAKE A FRESH COPY OF THE SLATER INVERSE AND DETERMINANT AND USE THE COPY memcpy(Slater_invT_copy, Slater_invT, LDS * Dim * sizeof(double)); determinant_copy = determinant; // ### CHOOSE A KERNEL: if (version[0] == 'a') { // Anthony const double *Upds; const uint64_t *Ui; double determinant_previous; err_break = 0; for (int i = 0; i < LDS * Dim; i++) Slater_invT_copy[i] *= determinant_copy; // Multiply inv(Slater-mat) by det(Slater-mat) to get adj(Slater_mat) for (int i = 0; i < N_updates; i++) { Upds = &Updates[i * LDS]; Ui = &Updates_index[i]; determinant_previous = determinant_copy; // 1. FETCH START TIME uint64_t before = rdtsc(); // 2. EXECUTE KERNEL AND REMEMBER EXIT STATUS detupd(Dim, LDS, Upds, Ui, Slater_invT_copy, &determinant_copy); // 3. FETCH FINISH TIME uint64_t after = rdtsc(); // 4. ADD TIME DIFFERENCE TO TIME CUMMULATOR accumulator += (double)(after - before); // 5. STOP APPLYING UPDATES IF BREAKDOWN DETECTED double lambda = determinant_copy / determinant_previous; // should be id. to lambda in detupd if (fabs(lambda) < breakdown) { err_break = 1; break; } } if (err_break == 1) { // Divide adj(Slater-mat) by OLD det(Slater-mat) to get inv(Slater_mat) again for (int i = 0; i < LDS * Dim; i++) Slater_invT_copy[i] /= determinant_previous; } else { // Divide adj(Slater-mat) by NEW det(Slater-mat) to get inv(Slater_mat) again for (int i = 0; i < LDS * Dim; i++) Slater_invT_copy[i] /= determinant_copy; } } else if (version[0] == 'n') { // Naive // 1. FETCH START TIME uint64_t before = rdtsc(); // 2. EXECUTE KERNEL AND REMEMBER EXIT STATUS err_break = qmckl_sherman_morrison(LDS, Dim, N_updates, Updates, Updates_index, breakdown, Slater_invT_copy, &determinant); // 3. FETCH FINISH TIME uint64_t after = rdtsc(); // 4. ADD TIME DIFFERENCE TO TIME CUMMULATOR accumulator += (double)(after - before); } else if (version[0] == 'l') { // Later // 1. FETCH START TIME uint64_t before = rdtsc(); // 2. EXECUTE KERNEL AND REMEMBER EXIT STATUS err_break = qmckl_sherman_morrison_later(LDS, Dim, N_updates, Updates, Updates_index, breakdown, Slater_invT_copy, &determinant); // 3. FETCH FINISH TIME uint64_t after = rdtsc(); // 4. ADD TIME DIFFERENCE TO TIME CUMMULATOR accumulator += (double)(after - before); } else if (version[0] == '2') { // by twos // 1. FETCH START TIME uint64_t before = rdtsc(); // 2. EXECUTE KERNEL AND REMEMBER EXIT STATUS err_break = qmckl_woodbury_2(LDS, Dim, Updates, Updates_index, breakdown, Slater_invT_copy, &determinant); // 3. FETCH FINISH TIME uint64_t after = rdtsc(); // 4. ADD TIME DIFFERENCE TO TIME CUMMULATOR accumulator += (double)(after - before); } else if (version[0] == '3') { // by threes // 1. FETCH START TIME uint64_t before = rdtsc(); // 2. EXECUTE KERNEL AND REMEMBER EXIT STATUS err_break = qmckl_woodbury_3(LDS, Dim, Updates, Updates_index, breakdown, Slater_invT_copy, &determinant); // 3. FETCH FINISH TIME uint64_t after = rdtsc(); // 4. ADD TIME DIFFERENCE TO TIME CUMMULATOR accumulator += (double)(after - before); } else if (version[0] == 's') { // Splitting // 1. FETCH START TIME uint64_t before = rdtsc(); // 2. EXECUTE KERNEL AND REMEMBER EXIT STATUS err_break = qmckl_sherman_morrison_splitting(LDS, Dim, N_updates, Updates, Updates_index, breakdown, Slater_invT_copy, &determinant); // 3. FETCH FINISH TIME uint64_t after = rdtsc(); // 4. ADD TIME DIFFERENCE TO TIME CUMMULATOR accumulator += (double)(after - before); } else if (version[0] == 'b') { // Blocked // 1. FETCH START TIME uint64_t before = rdtsc(); // 2. EXECUTE KERNEL AND REMEMBER EXIT STATUS err_break = qmckl_sherman_morrison_smw32s(LDS, Dim, N_updates, Updates, Updates_index, breakdown, Slater_invT_copy, &determinant); // 3. FETCH FINISH TIME uint64_t after = rdtsc(); // 4. ADD TIME DIFFERENCE TO TIME CUMMULATOR accumulator += (double)(after - before); } else if (version[0] == 'm') { // LAPACK/MKL // Only send upper Dim x Dim part of matrix to lapack double tmp[Dim*Dim]; memcpy(tmp, SlaterT, Dim*Dim*sizeof(double)); // 1. FETCH START TIME uint64_t before = rdtsc(); // 2. EXECUTE KERNEL AND REMEMBER EXIT STATUS err_break = inverse(tmp, Dim, Dim); // 3. FETCH FINISH TIME uint64_t after = rdtsc(); // Copy elements of inverse back, adding 0-padding in "correct" place for (uint32_t i = 0; i < Dim; i++) { for (uint32_t j = 0; j < LDS; j++) { if (j < Dim) Slater_invT_copy[i * LDS + j] = tmp[i * Dim + j]; else Slater_invT_copy[i * LDS + j] = 0.0; } } // 4. ADD TIME DIFFERENCE TO TIME CUMMULATOR accumulator += (double)(after - before); } else { // Exit printf("Version '%c' not implemented.\n", version[0]); return 1; } } // END OF REPETITIONS LOOP // 4. COPY RESULT BACK TO ORIGINAL memcpy(Slater_invT, Slater_invT_copy, LDS * Dim * sizeof(double)); determinant = determinant_copy; // At this point Slater_invT contains the correct inverse matrix // 5. DIVIDE CYCLE- AND SPLIT-ACCUMULATOR BY NUMBER OF REPETITIONS AND RECORD // DIVIDE CYCLE-ACCUMULATOR BY NUMBER OF UPDATES AND RECORD accumulator /= REPETITIONS; cycles_per_update = accumulator / N_updates; n_splits /= REPETITIONS; block_fail /= REPETITIONS; recursive_calls /= REPETITIONS; // 6. ADD THE AVERAGED TIME PER CYCLE OF ACCUMULATER TO // CUMULATIVE RESULT FOR THE ENTIRE DATASET cumulative += accumulator; double SSi[Dim * Dim]; matmul(SlaterT, Slater_invT, SSi, LDS, Dim); double Res[Dim * Dim]; residual(SSi, Res, Dim); const double max = max_norm(Res, Dim, Dim); // 7. CHECK ERRROR ON THE UPDATED DATA AND RECORD THE RESULT: ERR_OUT uint32_t err_out = check_error(LDS, Dim, Slater_invT, SlaterT, tolerance); // int32_t err_out = check_error_better(max, tolerance); // if (err_out == 1) printf("cycle index %d: cycle %d with %lu upds failed!\n", cycles_index, cycle, N_updates); // 8. COMPUTE CONDITION NUMBER const double condnr = condition_number(Slater, Slater_invT, LDS, Dim); const double frob = frobenius_norm(Res, Dim, Dim); // 10. WRITE RESULTS TO FILE: CYCLE#, #UPDS, ERR_INP, ERR_BREAK, #SPLITS, ERR_OUT, COND, #CLCK_TCKS printf("%u\t%lu\t%u\t%u\t\t%u\t%lu\t\t%lu\t\t%e\t%e\t%e\t%e\t%e\t%e\t%lu\n", cycle, N_updates, err_inp, err_break, err_out, n_splits, block_fail, max, frob, condnr, accumulator, cycles_per_update, cumulative, recursive_calls); free(Updates_index); free(Updates); } // END OF CYCLE LOOP printf("#----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------\n"); printf("#1\t2\t3\t4\t\t5\t6\t\t7\t\t8\t\t9\t\t10\t\t11\t\t12\t\t13\t\t14\n"); printf("#CYCLE\tUPDS\tERR_IN\tERR_BREAK\tERR_OUT\tSPLITS\t\tBLK_FAILS\tMAX\t\tFROB\t\tCOND\t\tCPU_CYC\t\tCPU_CYC/UPD\tCUMUL\t\tREC\n"); printf("#----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------\n"); (void) H5Fclose(file_id); }