#pragma once /* spbas_cholesky_row_alloc: in the data arrays, find a place where another row may be stored. Return PETSC_ERR_MEM if there is insufficient space to store the row, so garbage collection and/or re-allocation may be done. */ static PetscBool spbas_cholesky_row_alloc(spbas_matrix retval, PetscInt k, PetscInt r_nnz, PetscInt *n_alloc_used) { retval.icols[k] = &retval.alloc_icol[*n_alloc_used]; retval.values[k] = &retval.alloc_val[*n_alloc_used]; *n_alloc_used += r_nnz; return (*n_alloc_used > retval.n_alloc_icol) ? PETSC_FALSE : PETSC_TRUE; } /* spbas_cholesky_garbage_collect: move the rows which have been calculated so far, as well as those currently under construction, to the front of the array, while putting them in the proper order. When it seems necessary, enlarge the current arrays. NB: re-allocation is being simulated using PetscMalloc, memcpy, PetscFree, because PetscRealloc does not seem to exist. */ static PetscErrorCode spbas_cholesky_garbage_collect(spbas_matrix *result, /* I/O: the Cholesky factor matrix being constructed. Only the storage, not the contents of this matrix is changed in this function */ PetscInt i_row, /* I : Number of rows for which the final contents are known */ PetscInt *n_row_alloc_ok, /* I/O: Number of rows which are already in their final places in the arrays: they need not be moved any more */ PetscInt *n_alloc_used, /* I/O: */ PetscInt *max_row_nnz) /* I : Over-estimate of the number of nonzeros needed to store each row */ { /* PSEUDO-CODE: 1. Choose the appropriate size for the arrays 2. Rescue the arrays which would be lost during garbage collection 3. Reallocate and correct administration 4. Move all arrays so that they are in proper order */ PetscInt i, j; PetscInt nrows = result->nrows; PetscInt n_alloc_ok = 0; PetscInt n_alloc_ok_max = 0; PetscInt need_already = 0; PetscInt max_need_extra = 0; PetscInt n_alloc_max, n_alloc_est, n_alloc; PetscInt n_alloc_now = result->n_alloc_icol; PetscInt *alloc_icol_old = result->alloc_icol; PetscScalar *alloc_val_old = result->alloc_val; PetscInt *icol_rescue; PetscScalar *val_rescue; PetscInt n_rescue; PetscInt i_here, i_last, n_copy; const PetscReal xtra_perc = 20; PetscFunctionBegin; /********************************************************* 1. Choose appropriate array size Count number of rows and memory usage which is already final */ for (i = 0; i < i_row; i++) { n_alloc_ok += result->row_nnz[i]; n_alloc_ok_max += max_row_nnz[i]; } /* Count currently needed memory usage and future memory requirements (max, predicted)*/ for (i = i_row; i < nrows; i++) { if (!result->row_nnz[i]) { max_need_extra += max_row_nnz[i]; } else { need_already += max_row_nnz[i]; } } /* Make maximal and realistic memory requirement estimates */ n_alloc_max = n_alloc_ok + need_already + max_need_extra; n_alloc_est = n_alloc_ok + need_already + (int)(((PetscReal)max_need_extra) * ((PetscReal)n_alloc_ok) / ((PetscReal)n_alloc_ok_max)); /* Choose array sizes */ if (n_alloc_max == n_alloc_est) n_alloc = n_alloc_max; else if (n_alloc_now >= n_alloc_est) n_alloc = n_alloc_now; else if (n_alloc_max < n_alloc_est * (1 + xtra_perc / 100.0)) n_alloc = n_alloc_max; else n_alloc = (int)(n_alloc_est * (1 + xtra_perc / 100.0)); /* If new estimate is less than what we already have, don't reallocate, just garbage-collect */ if (n_alloc_max != n_alloc_est && n_alloc < result->n_alloc_icol) n_alloc = result->n_alloc_icol; /* Motivate dimension choice */ PetscCall(PetscInfo(NULL, " Allocating %" PetscInt_FMT " nonzeros: ", n_alloc)); /* checkbadSource \n */ if (n_alloc_max == n_alloc_est) { PetscCall(PetscInfo(NULL, "this is the correct size\n")); } else if (n_alloc_now >= n_alloc_est) { PetscCall(PetscInfo(NULL, "the current size, which seems enough\n")); } else if (n_alloc_max < n_alloc_est * (1 + xtra_perc / 100.0)) { PetscCall(PetscInfo(NULL, "the maximum estimate\n")); } else { PetscCall(PetscInfo(NULL, "%6.2f %% more than the estimate\n", (double)xtra_perc)); } /********************************************************** 2. Rescue arrays which would be lost Count how many rows and nonzeros will have to be rescued when moving all arrays in place */ n_rescue = 0; if (*n_row_alloc_ok == 0) *n_alloc_used = 0; else { i = *n_row_alloc_ok - 1; PetscCall(PetscIntCast(result->icols[i] - result->alloc_icol + result->row_nnz[i], n_alloc_used)); } for (i = *n_row_alloc_ok; i < nrows; i++) { PetscCall(PetscIntCast(result->icols[i] - result->alloc_icol, &i_here)); i_last = i_here + result->row_nnz[i]; if (result->row_nnz[i] > 0) { if (*n_alloc_used > i_here || i_last > n_alloc) n_rescue += result->row_nnz[i]; if (i < i_row) *n_alloc_used += result->row_nnz[i]; else *n_alloc_used += max_row_nnz[i]; } } /* Allocate rescue arrays */ PetscCall(PetscMalloc1(n_rescue, &icol_rescue)); PetscCall(PetscMalloc1(n_rescue, &val_rescue)); /* Rescue the arrays which need rescuing */ n_rescue = 0; if (*n_row_alloc_ok == 0) *n_alloc_used = 0; else { i = *n_row_alloc_ok - 1; PetscCall(PetscIntCast(result->icols[i] - result->alloc_icol + result->row_nnz[i], n_alloc_used)); } for (i = *n_row_alloc_ok; i < nrows; i++) { PetscCall(PetscIntCast(result->icols[i] - result->alloc_icol, &i_here)); i_last = i_here + result->row_nnz[i]; if (result->row_nnz[i] > 0) { if (*n_alloc_used > i_here || i_last > n_alloc) { PetscCall(PetscArraycpy(&icol_rescue[n_rescue], result->icols[i], result->row_nnz[i])); PetscCall(PetscArraycpy(&val_rescue[n_rescue], result->values[i], result->row_nnz[i])); n_rescue += result->row_nnz[i]; } if (i < i_row) *n_alloc_used += result->row_nnz[i]; else *n_alloc_used += max_row_nnz[i]; } } /********************************************************** 3. Reallocate and correct administration */ if (n_alloc != result->n_alloc_icol) { n_copy = PetscMin(n_alloc, result->n_alloc_icol); /* PETSc knows no REALLOC, so we'll REALLOC ourselves. Allocate new icol-data, copy old contents */ PetscCall(PetscMalloc1(n_alloc, &result->alloc_icol)); PetscCall(PetscArraycpy(result->alloc_icol, alloc_icol_old, n_copy)); /* Update administration, Reset pointers to new arrays */ result->n_alloc_icol = n_alloc; for (i = 0; i < nrows; i++) { result->icols[i] = result->alloc_icol + (result->icols[i] - alloc_icol_old); result->values[i] = result->alloc_val + (result->icols[i] - result->alloc_icol); } /* Delete old array */ PetscCall(PetscFree(alloc_icol_old)); /* Allocate new value-data, copy old contents */ PetscCall(PetscMalloc1(n_alloc, &result->alloc_val)); PetscCall(PetscArraycpy(result->alloc_val, alloc_val_old, n_copy)); /* Update administration, Reset pointers to new arrays */ result->n_alloc_val = n_alloc; for (i = 0; i < nrows; i++) result->values[i] = result->alloc_val + (result->icols[i] - result->alloc_icol); /* Delete old array */ PetscCall(PetscFree(alloc_val_old)); } /********************************************************* 4. Copy all the arrays to their proper places */ n_rescue = 0; if (*n_row_alloc_ok == 0) *n_alloc_used = 0; else { i = *n_row_alloc_ok - 1; PetscCall(PetscIntCast(result->icols[i] - result->alloc_icol + result->row_nnz[i], n_alloc_used)); } for (i = *n_row_alloc_ok; i < nrows; i++) { PetscCall(PetscIntCast(result->icols[i] - result->alloc_icol, &i_here)); i_last = i_here + result->row_nnz[i]; result->icols[i] = result->alloc_icol + *n_alloc_used; result->values[i] = result->alloc_val + *n_alloc_used; if (result->row_nnz[i] > 0) { if (*n_alloc_used > i_here || i_last > n_alloc) { PetscCall(PetscArraycpy(result->icols[i], &icol_rescue[n_rescue], result->row_nnz[i])); PetscCall(PetscArraycpy(result->values[i], &val_rescue[n_rescue], result->row_nnz[i])); n_rescue += result->row_nnz[i]; } else { for (j = 0; j < result->row_nnz[i]; j++) { result->icols[i][j] = result->alloc_icol[i_here + j]; result->values[i][j] = result->alloc_val[i_here + j]; } } if (i < i_row) *n_alloc_used += result->row_nnz[i]; else *n_alloc_used += max_row_nnz[i]; } } /* Delete the rescue arrays */ PetscCall(PetscFree(icol_rescue)); PetscCall(PetscFree(val_rescue)); *n_row_alloc_ok = i_row; PetscFunctionReturn(PETSC_SUCCESS); } /* spbas_incomplete_cholesky: incomplete Cholesky decomposition of a square, symmetric, positive definite matrix. In case negative diagonals are encountered, function returns NEGATIVE_DIAGONAL. When this happens, call this function again with a larger epsdiag_in, a less sparse pattern, and/or a smaller droptol */ PetscErrorCode spbas_incomplete_cholesky(Mat A, const PetscInt *rip, const PetscInt *riip, spbas_matrix pattern, PetscReal droptol, PetscReal epsdiag_in, spbas_matrix *matrix_L, PetscBool *success) { PetscInt jL; Mat_SeqAIJ *a = (Mat_SeqAIJ *)A->data; PetscInt *ai = a->i, *aj = a->j; MatScalar *aa = a->a; PetscInt nrows, ncols; PetscInt *max_row_nnz; spbas_matrix retval; PetscScalar *diag; PetscScalar *val; PetscScalar *lvec; PetscScalar epsdiag; PetscInt i, j, k; const PetscBool do_values = PETSC_TRUE; PetscInt *r1_icol; PetscScalar *r1_val; PetscInt *r_icol; PetscInt r_nnz; PetscScalar *r_val; PetscInt *A_icol; PetscInt A_nnz; PetscScalar *A_val; PetscInt *p_icol; PetscInt p_nnz; PetscInt n_row_alloc_ok = 0; /* number of rows which have been stored correctly in the matrix */ PetscInt n_alloc_used = 0; /* part of result->icols and result->values which is currently being used */ PetscFunctionBegin; /* Convert the Manteuffel shift from 'fraction of average diagonal' to dimensioned value */ PetscCall(MatGetSize(A, &nrows, &ncols)); PetscCall(MatGetTrace(A, &epsdiag)); epsdiag *= epsdiag_in / nrows; PetscCall(PetscInfo(NULL, " Dimensioned Manteuffel shift %g Drop tolerance %g\n", (double)PetscRealPart(epsdiag), (double)droptol)); if (droptol < 1e-10) droptol = 1e-10; retval.nrows = nrows; retval.ncols = nrows; retval.nnz = pattern.nnz / 10; retval.col_idx_type = SPBAS_COLUMN_NUMBERS; retval.block_data = PETSC_TRUE; PetscCall(spbas_allocate_pattern(&retval, do_values)); PetscCall(PetscArrayzero(retval.row_nnz, nrows)); PetscCall(spbas_allocate_data(&retval)); retval.nnz = 0; PetscCall(PetscMalloc1(nrows, &diag)); PetscCall(PetscCalloc1(nrows, &val)); PetscCall(PetscCalloc1(nrows, &lvec)); PetscCall(PetscCalloc1(nrows, &max_row_nnz)); /* Count the nonzeros on transpose of pattern */ for (i = 0; i < nrows; i++) { p_nnz = pattern.row_nnz[i]; p_icol = pattern.icols[i]; for (j = 0; j < p_nnz; j++) max_row_nnz[i + p_icol[j]]++; } /* Calculate rows of L */ for (i = 0; i < nrows; i++) { p_nnz = pattern.row_nnz[i]; p_icol = pattern.icols[i]; r_nnz = retval.row_nnz[i]; r_icol = retval.icols[i]; r_val = retval.values[i]; A_nnz = ai[rip[i] + 1] - ai[rip[i]]; A_icol = &aj[ai[rip[i]]]; A_val = &aa[ai[rip[i]]]; /* Calculate val += A(i,i:n)'; */ for (j = 0; j < A_nnz; j++) { k = riip[A_icol[j]]; if (k >= i) val[k] = A_val[j]; } /* Add regularization */ val[i] += epsdiag; /* Calculate lvec = diag(D(0:i-1)) * L(0:i-1,i); val(i) = A(i,i) - L(0:i-1,i)' * lvec */ for (j = 0; j < r_nnz; j++) { k = r_icol[j]; lvec[k] = diag[k] * r_val[j]; val[i] -= r_val[j] * lvec[k]; } /* Calculate the new diagonal */ diag[i] = val[i]; if (PetscRealPart(diag[i]) < droptol) { PetscCall(PetscInfo(NULL, "Error in spbas_incomplete_cholesky:\n")); PetscCall(PetscInfo(NULL, "Negative diagonal in row %" PetscInt_FMT "\n", i + 1)); /* Delete the whole matrix at once. */ PetscCall(spbas_delete(retval)); *success = PETSC_FALSE; PetscFunctionReturn(PETSC_SUCCESS); } /* If necessary, allocate arrays */ if (r_nnz == 0) { PetscBool success = spbas_cholesky_row_alloc(retval, i, 1, &n_alloc_used); PetscCheck(success, PETSC_COMM_SELF, PETSC_ERR_MEM, "spbas_cholesky_row_alloc() failed"); r_icol = retval.icols[i]; r_val = retval.values[i]; } /* Now, fill in */ r_icol[r_nnz] = i; r_val[r_nnz] = 1.0; r_nnz++; retval.row_nnz[i]++; retval.nnz += r_nnz; /* Calculate val(i+1:n) = (A(i,i+1:n)- L(0:i-1,i+1:n)' * lvec)/diag(i) */ for (j = 1; j < p_nnz; j++) { k = i + p_icol[j]; r1_icol = retval.icols[k]; r1_val = retval.values[k]; for (jL = 0; jL < retval.row_nnz[k]; jL++) val[k] -= r1_val[jL] * lvec[r1_icol[jL]]; val[k] /= diag[i]; if (PetscAbsScalar(val[k]) > droptol || PetscAbsScalar(val[k]) < -droptol) { /* If necessary, allocate arrays */ if (!retval.row_nnz[k]) { PetscBool flag, success = spbas_cholesky_row_alloc(retval, k, max_row_nnz[k], &n_alloc_used); if (!success) { PetscCall(spbas_cholesky_garbage_collect(&retval, i, &n_row_alloc_ok, &n_alloc_used, max_row_nnz)); flag = spbas_cholesky_row_alloc(retval, k, max_row_nnz[k], &n_alloc_used); PetscCheck(flag, PETSC_COMM_SELF, PETSC_ERR_MEM, "Allocation in spbas_cholesky_row_alloc() failed"); r_icol = retval.icols[i]; } } retval.icols[k][retval.row_nnz[k]] = i; retval.values[k][retval.row_nnz[k]] = val[k]; retval.row_nnz[k]++; } val[k] = 0; } /* Erase the values used in the work arrays */ for (j = 0; j < r_nnz; j++) lvec[r_icol[j]] = 0; } PetscCall(PetscFree(lvec)); PetscCall(PetscFree(val)); PetscCall(spbas_cholesky_garbage_collect(&retval, nrows, &n_row_alloc_ok, &n_alloc_used, max_row_nnz)); PetscCall(PetscFree(max_row_nnz)); /* Place the inverse of the diagonals in the matrix */ for (i = 0; i < nrows; i++) { r_nnz = retval.row_nnz[i]; retval.values[i][r_nnz - 1] = 1.0 / diag[i]; for (j = 0; j < r_nnz - 1; j++) retval.values[i][j] *= -1; } PetscCall(PetscFree(diag)); *matrix_L = retval; *success = PETSC_TRUE; PetscFunctionReturn(PETSC_SUCCESS); }