From cast10-request@bevo.che.wisc.edu Mon Mar 13 17:08:55 2000 Received: (from slist@localhost) by bevo.che.wisc.edu (8.9.1/8.9.1) id RAA09390; Mon, 13 Mar 2000 17:08:55 -0600 (CST) Resent-Date: Mon, 13 Mar 2000 17:08:55 -0600 (CST) MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Message-ID: <14541.29956.747301.18835@bahaha.che.wisc.edu> Date: Mon, 13 Mar 2000 17:08:52 -0600 (CST) From: "Paul I. Barton" To: cast10@bevo.che.wisc.edu, na.digest@na-net.ornl.gov Subject: CAST: DAEPACK Version 1.0 Announcement X-CAST-Category: software Resent-Message-ID: <"WhXbE961ppJ.A.mZC.HUXz4"@bevo.che.wisc.edu> Resent-From: cast10@bevo.che.wisc.edu X-Mailing-List: X-Loop: cast10@bevo.che.wisc.edu Precedence: list Resent-Sender: cast10-request@bevo.che.wisc.edu Sender: cast10-request@bevo.che.wisc.edu Errors-To: cast10-request@bevo.che.wisc.edu ----------------------------------------------------------------- NOTE: Past postings on the CAST10 Email List are archived on the World Wide Web at http://www.che.wisc.edu/cast10 ----------------------------------------------------------------- ANNOUNCING DAEPACK VERSION 1.0 The Massachusetts Institute of Technology is pleased to announce the availability of DAEPACK version 1.0 for academic and commercial uses licensing. DAEPACK is a symbolic and numeric library for general numerical calculations. What distinguishes DAEPACK from other software libraries for numerical computations is a set of symbolic components that operate directly on very general Fortran-90 code provided by the user. The symbolic components take as input a set of Fortran-90 source files defining a system of equations of interest and generate a new set of Fortran-90 subroutines and functions computing quantities such as analytical derivatives matrices, sparsity patterns, etc. The original Fortran-90 code may contain an arbitrary number of subroutine and function calls, common blocks, sophisticated solution strategies embedded within the model evaluation, etc. The information generated automatically by DAEPACK is exploited in a collection of state-of-the-art numerical algorithms for performing tasks such as solution of large sets of nonlinear equations, efficient numerical integration and parametric sensitivity calculation, hybrid discrete/continuous simulation, and others. In addition, this new information can be used with third party or custom numerical algorithms to provide information that would otherwise have to be generated by hand. Currently, the symbolic components generate: 1) General derivative matrices, J(x)S, where J(x) is the Jacobian matrix and S is and arbitrary conformable matrix. Setting S equal to the identity matrix yields the Jacobian matrix. Sparsity is exploited both in derivative computation and storage. 2) Sparsity patterns. 3) Discontinuity-locked models. 4) Interval extensions of the original system of equations. In all of the cases above, new code is generated that can be compiled and linked into other applications to provide the desired information. Currently, the numerical components provided with DAEPACK are: 1) Block solution of large sparse sets of nonlinear algebraic equations. The structural information of the system of equations obtained with the sparsity pattern code described above is used to permute the system into block lower triangular form where the overall system of equations is solved as a sequence of smaller blocks. Derivative code is generated in order to extract efficiently the submatrix of the Jacobian corresponding to the current block. 2) Efficient numerical integration and parametric sensitivity calculation exploiting the sparsity pattern and analytical derivatives generated automatically. 3) Hybrid discrete/continuous numerical integration and parametric sensitivity calculation using the sparsity pattern, analytical derivatives, and discontinuity-locked model generated automatically. 4) Intelligent model analysis based on the Dulmage-Mendelsohn decomposition, exploiting the sparsity pattern generated automatically. DAEPACK is available on the following platforms: Windows 9x, Windows NT, UNIX (HPUX and Sun Solaris), and Linux. The Windows versions of DAEPACK are provided with a graphical user interface that facilitates the automatic generation of code using the symbolic components. Future releases of DAEPACK will include a larger set of symbolic and numeric algorithms and a graphical environment for "numerical flowsheeting", the construction of numerical algorithms graphically. Furthermore, greater support for the automatic construction of CAPE-Open compliant components from legacy Fortran code will be provided. More information about DAEPACK can be found at the following website: http://yoric.mit.edu/daepack/daepack.html For additional information, including licensing, contact: John Tolsma Postdoctoral Associate Department of Chemical Engineering Massachusetts Institute of Technology 77 Massachusetts Avenue Room 66-365 Cambridge MA 02139 (phone) 617-253-5513 (fax) 617-258-5042 jtolsma@mit.edu Paul I. Barton Associate Professor Department of Chemical Engineering Massachusetts Institute of Technology, 66-464 77 Massachusetts Avenue Cambridge MA 02139 U.S.A. Phone : +1-617-253-6526 Fax : +1-617-258-5042 email : pib@mit.edu http://web.mit.edu/cheme/www/People/Faculty/Barton_Paul.html