Release 3 represents a significant expansion of the NAG Parallel Library. It contains a total of 183 documented routines, of which 95 are new at this release.
The new facilities include a new Chapter, C06, containing routines for discrete Fourier transforms in one, two and three dimensions; considerable additional functionality in the area of the solution of sparse linear equations, for example, complex equivalents of the real solvers and further preconditioners; ScaLAPACK routines for the solution of banded and tridiagonal linear systems, and for the solution of symmetric and Hermitian eigenproblems; black box solvers for the solution of banded and tridiagonal linear systems; random number generators for uniform, Normal and exponential distributions; utility routines to aid in operations such the generation and distribution of dense and sparse matrices, and vectors distributed conformally to a sparse matrix; and utility routines to gather and output dense matrices and vectors distributed conformally to a sparse matrix.
The 95 new user callable routines included in the NAG Parallel Library at Release 3 are as follows:
| C06FUFP | Direct or inverse two-dimensional Fourier transform of a complex sequence |
| C06GXFP | Factorizes a positive integer n as n = n1 x n2. This routine may be used in conjunction with C06MCFP |
| C06MCFP | Direct or inverse one-dimensional discrete Fourier transform of a complex seqence |
| C06MXFP | Direct or inverse three-dimensional discrete Fourier transform of a complex sequence |
| F01CPFP | Element-wise maximum or minimum in absolute value of integer matrices |
| F01WAFP | Gather real matrix, regarded as submatrix of matrix distributed in cyclic two-dimensional block format, used with routines from Chapters F07 and F08 |
| F01WBFP | Gather real matrix distributed in cyclic two-dimensional block format, used with routines from Chapter F04 |
| F01WGFP | Gather complex matrix distributed in cyclic two-dimensional block format, used with routines from Chapters F07 and F08 |
| F01WHFP | Gather complex matrix distributed in cyclic two-dimensional block format, used with routines from Chapter F04 |
| F01WNFP | Scatter real matrix from the root processor to the Library Grid using cyclic two-dimensional block format, used with routines from Chapters F07 and F08 |
| F01WPFP | Scatter real matrix from the root processor to the Library Grid using cyclic two-dimensional block format, used with routines from Chapter F04 |
| F01WUFP | Scatter complex matrix from the root processor to the Library Grid using cyclic two-dimensional block format, used with routines from Chapters F07 and F08 |
| F01WVFP | Scatter complex matrix from the root processor to the Library Grid using cyclic two-dimensional block format, used with routines from Chapter F04 |
| F01XAFP | Scatter real sparse matrix, stored in coordinate storage format, using cyclic row block distribution |
| F01XEFP | Scatter real vector distributed conformally to sparse matrix, used with routines from Chapter F11 |
| F01XFFP | Gather real vector distributed conformally to sparse matrix, used with routines from Chapter F11 |
| F01XGFP | Scatter integer vector distributed conformally to sparse matrix, used with routines from Chapter F11 |
| F01XHFP | Gather integer vector, distributed conformally to sparse matrix, used with routines from Chapter F11 |
| F01XPFP | Scatter complex sparse matrix, stored in coordinate storage format, using cyclic row block distribution, used with routines from Chapter F11 |
| F01XTFP | Scatter complex vector distributed conformally to sparse matrix, used with routines from Chapter F11 |
| F01XUFP | Gather complex vector distributed conformally to sparse matrix, used with routines from Chapter F11 |
| F01YBFP | In-place generation of real sparse matrix using cyclic row block distribution (suitable for repeated sparsity pattern), used with routines from Chapter F11 |
| F01YPFP | In-place generation of complex sparse matrix according to cyclic row block distribution, used with routines from Chapter F11 |
| F01YQFP | In-place generation of complex sparse matrix according to cyclic row block distribution (suitable for repeated sparsity pattern) |
| F01YTFP | In-place generation of complex dense vector distributed conformally to sparse matrix, used with routines from Chapter F11 |
| F01YWFP | In-place generation of complex Hermitian banded matrix in column block fashion, used with routines from Chapter F07 |
| F01YXFP | In-place generation of real symmetric banded matrix in column block fashion, used with routines from Chapter F07 |
| F01YYFP | In-place generation of real matrix in row block fashion on a one-dimensional grid of processors, used with routines from Chapter F07 |
| F01YZFP | In-place generation of complex matrix in row block fashion on a one-dimensional grid of processors, used with routines from Chapter F07 |
| F01ZHFP | Generates an l by m by n three-dimensional array A(i,j,k) on a grid of processors in i-block form |
| F01ZMFP | In-place generation of real matrix in row block fashion, used with routines from Chapters C06 and F04 |
| F01ZNFP | In-place generation of complex matrix in row block fashion, used with routines from Chapter F04 |
| F01ZYFP | In-place generation of complex vector in column block fashion, used with routines from Chapter F07 |
| F01ZZFP | In-place generation of real vector in column block fashion, used with routines from Chapter F07 |
| F04HBFP | Solution of real symmetric banded linear system (Black Box) |
| F04HZFP | Solution of complex Hermitian banded linear system (Black Box) |
| F04JBFP | Solution of real symmetric tridiagonal linear system (Black Box) |
| F04JZFP | Solution of complex Hermitian tridiagonal linear system (Black Box) |
| F07HDFP | (PDPBTRF) Cholesky factorization of real symmetric banded matrix with no pivoting |
| F07HEFP | (PDPBTRS) Solution of real symmetric banded linear system, matrix already factorized by F07HDFP (PDPBTRF) |
| F07HRFP | (PZPBTRF) Cholesky factorization of complex Hermitian banded matrix with no-pivoting |
| F07HSFP | (PZPBTRS) Solution of complex Hermitian banded linear system, matrix already factorized by F07HRFP (PZPBTRF) |
| F07JDFP | (PDPTTRF) Cholesky factorization of real symmetric tridiagonal matrix with no-pivoting |
| F07JEFP | (PDPTTRS) Solution of real symmetric tridiagonal linear system, matrix already factorized by F07JDFP (PDPTTRF) |
| F07JRFP | (PZPTTRF) Factorization of complex Hermitian tridiagonal matrix with no-pivoting |
| F07JSFP | (PZPTTRS) Solution of real symmetric tridiagonal linear system, matrix already factorized by F07JRFP (PZPTTRF) |
| F08FGFP | (PDORMTR) Apply orthogonal transformation determined by F08FEFP (PDSYTRD) |
| F08FSFP | (PZHETRD) Unitary reduction of complex Hermitian matrix to real symmetric tridiagonal form |
| F08FUFP | (PZUNMTR) Apply unitary transformation matrix determined by F08FSFP (PZHETRD) |
| F08JKFP | (PDSTEIN) Selected eigenvectors of real symmetric tridiagonal matrix by inverse iteration, storing eigenvectors in real array |
| F08JXFP | (PZSTEIN) Selected eigenvectors of real symmetric tridiagonal matrix by inverse iteration, storing eigenvectors in complex array |
| F11BRFP | Complex sparse non-Hermitian linear system, reverse-communication, set-up for F11BSFP |
| F11BSFP | Complex sparse non-Hermitian linear system, reverse-communication, solver using preconditioned GMRES, CGS or Bi-CGSTAB |
| F11BTFP | Complex sparse non-Hermitian linear system, reverse-communication, diagnostic for F11BSFP |
| F11DDFP | Apply iterations of SOR method to real sparse linear system, used mostly as SOR preconditioner for real sparse matrix |
| F11DEFP | Solution of real sparse nonsymmetric linear system using Jacobi, SOR or no preconditioned RGMRES, CGS or Bi-CGSTAB (Black Box) |
| F11DKFP | Apply iterations of relaxed Jacobi iterative method to a real sparse linear system, used mostly as Jacobi preconditioner for real sparse matrix |
| F11DRFP | Apply iterations of SOR method to the complex sparse linear system, used mostly as SOR preconditioner for complex sparse matrix |
| F11DSFP | Solution of complex sparse non-Hermitian linear system using Jacobi, SOR or no preconditioned RGMRES, CGS or Bi-CGSTAB (Black Box) |
| F11DTFP | Compute incomplete LU factorization of local diagonal blocks of complex sparse matrix |
| F11DUFP | Complex sparse non-Hermitian linear system solver, reverse-communication, block-Jacobi preconditioner generated by F11DTFP |
| F11DVFP | Solution of complex sparse non-Hermitian linear system using block Jacobi preconditioned RGMRES, CGS or Bi-CGSTAB (Black Box) |
| F11DXFP | Apply iterations of relaxed Jacobi iterative method to complex sparse linear system, used mostly as Jacobi preconditioner for complex sparse matrix |
| F11JEFP | Solution of real sparse symmetric linear system using Jacobi, SSOR or no preconditioned CG or SYMMLQ (Black Box) |
| F11JHFP | Solution of sparse symmetric linear system using block Jacobi preconditioned CG or SYMMLQ (Black Box) |
| F11XPFP | Matrix-vector multiplication for complex sparse matrix |
| F11YAFP | Permutation of non-zero entries of real sparse matrix with repeated sparsity pattern |
| F11YBFP | Permutation of real vector from distribution based order to local indexing based order |
| F11YCFP | Permutation of real vector from local indexing based order to distribution based order |
| F11YNFP | Permutation of non-zero entries of complex sparse matrix with repeated sparsity pattern |
| F11YPFP | Permutation of complex vector from distribution based order to local indexing based order |
| F11YQFP | Permutation of complex vector from local indexing based order to distribution based order |
| F11ZBFP | General set-up routine for real sparse matrix distributed in cyclic row block form (suitable for repeated sparsity pattern) |
| F11ZGFP | Generates multi-colour ordering for real sparse matrix with symmetric sparsity pattern, distributed in row block form |
| F11ZPFP | General set-up routine for complex sparse matrix, distributed in cyclic row block form (suitable for repeated sparsity pattern) |
| F11ZUFP | Generates multi-colour ordering for complex sparse matrix with symmetric sparsity pattern, distributed in row block form. |
| F11ZZFP | Release of internally allocated memory |
| G05ACFP | Function returning pseudo-random real number from the interval [a,b), uniform distribution |
| G05ADFP | Function returning pseudo-random real number from the interval [a,b), Normal distribution |
| G05AEFP | Function returning pseudo-random real number from the interval [a,b), exponential distribution |
| G05AZFP | Function returning pseudo-random integer from the interval [ia,ib), uniform distribution |
| G05BAFP | Pseudo-random real numbers from the interval (0,0), uniform distribution |
| G05BBFP | Selects random number generator and initialises seeds to give repeatable sequence |
| G05BCFP | Pseudo-random real numbers from the interval (a,b), uniform distribution |
| G05BDFP | Pseudo-random real numbers from the interval (a,b), Normal distribution |
| G05BEFP | Pseudo-random real numbers from the interval (a,b), exponential distribution |
| G05BZFP | Pseudo-random integers from the interval (ia,ib), uniform distribution |
| X04BMFP | Outputs set of general integer matrices distributed on a two-dimensional logical processor grid |
| X04BXFP | Outputs real matrix stored in row block fashion |
| X04BZFP | Outputs complex matrix stored in row block fashion |
| X04YPFP | Outputs complex vector, distributed conformally to sparse matrix to a sequential file |
| Z01CFFP | Computes number of rows of a row block distributed matrix owned by a processor |
| Z01ZAFP | Returns information on coordinates in Library Grid set up by Z01AAFP |
| Z01ZBFP | Creates an MPI communicator from a Library context |
| Z02EAFP | Specification of error checking level, can reduce the amount of checking carried out in subsequent calls to other Library routines |
Three routines from Release 2 of the NAG Parallel Library have been renamed at Release 3 for compatibility with the NAG Fortran Library:
| Release 2 | Release 3 |
| F11DAFP | F11DFFP |
| F11DBFP | F11DGFP |
| F11DCFP | F11DHFP |
Release 3 of the NAG Parallel Library only supports the use of MPI as the message passing system, and in consequence three utility routines concerned with support for PVM have been withdrawn.
| Withdrawn Routine | Recommended Replacement |
| Z01ADFP | Z01AEFP |
| Z01BDFP | Z01BGFP |
| Z01BFFP | None |
The routines listed below are scheduled for withdrawal from the NAG Parallel Library, because improved routines have been included in the Library. In keeping with the current release of ScaLAPACK, all the ScaLAPACK routines (Chapters F07 and F08) that include the arguments LWORK or LIWORK now have the facility to query how large workspace should be by setting LWORK or LIWORK to -1 on input, consequently the corresponding Z01 routines are now redundant.
The following routines will be withdrawn at Release 4.
| Routines Scheduled for Withdrawal | Recommended Replacement |
| F11XAFP | F11XBFP |
| F11ZAFP | F11ZBFP |
| Z01CBFP | Set LWORK = -1 in call to F08AEFP or F08AFFP |
| Z01CCFP | Set LWORK = -1 in call to F08AGFP |
| Z01CEFP | Set LWORK = -1 in call to F08FEFP |