computationalsciencelaboratory / fatode

A FORTRAN library for the integration of ordinary differential equations with direct and adjoint sensitivity analysis capabilities

FATODE

FATODE version 1.2 by Hong Zhang and Adrian Sandu Released April 30, 2013

FATODE version 1.1 by Hong Zhang and Adrian Sandu Released November 11, 2012

FATODE contains a set of integrators to solve ordinary differential system y'=f(t,y) with capabilities of direct and adjoint sensitivity analysis. FATODE is implemented in FORTRAN90, and has been tested with the following compilers: Portland group's pgf90, Intel's ifort, Lahey's lf95, Sun's sunf90, gfortran, Absoft.

FATODE contains the following directory structure:

FATODE/README      general instructions
FATODE/FWD         forward model integrators   
FATODE/ADJ         adjoint model integrators
FATODE/TLM         tangent linear model integrators
FATODE/LSS_LIBS    lib files of linear solvers
FATODE/EXAMPLES    example programs
FATODE/DOC         documentation (user's guide)

FATODE implementation requires BLAS and LAPACK libraries. For solution of linear systems arised in the integration, FATODE provides options to use BLAS/ LAPACK routines (with macro definition -DFULL_ALGEBRA) and to use sparse linear solvers such as UMFPACK (-DSPARSE_UMF) and SuperLU (-DSPARSE_LU). If sparse linear solvers are needed, the FATODE code must be linked with corresponding (static) libraries for the linear solvers. For installation instuctions of UMFPACK and SuperLU, please refer to their websites. UMFPACK can be accessed at: http://www.cise.ufl.edu/research/sparse/umfpack/ SuperLU can be accessed at: http://crd.lbl.gov/~xiaoye/SuperLU/

Since UMFPACK and SuperLU are written in C, wrappers for calling C routines from FORTRAN are needed. They can be found in the original packages of UMFPACK and SuperLU. For convenience, they are also included in FATODE/LSS_LIBS directory as well as makefiles to generate object files which can be linked to FATODE code. Make sure to modify the installation PATH first in the makefiles if you need to regenerate the object files.

For usage of FATODE, please refer to the user's guide, as well as the example programs containing drivers and makefiles which can be used as templates.

Changes

Changes from Version 1.1

Bug fixes:

• Fixed a possible initilization problem of method coefficients for windows users.
• Fixed improper use of drdy in the adjoint Rosenbrock solver. Complier options:
• The option -mp for ifort compiler is deprecated. Use -fltconsistency instead.

Changes from Version 1.0

New example:

• CBM-IV: a stiff chemical system used to demonstrate the usage of FATODE for computing sensivities with respect to system parameters. Bug fixes:
• Fixed several bugs in Rosenbrock solvers Complier options:
• ifort sometimes reulsts in inconsistent output with other compilers due to floating-point calculation consistency. The option -mp can solve this problem. Documentation:
• Add a user's guide for FATODE