Using this package, Gromacs 3.3.1 can be built: a. Using either Command-line-build-mechanism (nmake utility) or Visual Studio 2005 IDE. b. For 32-bit or 64-bit architecture. c. In single or double precision mode. d. Using the libraries (FFTW, BLAS and LAPACK) provided with this package or using IMKL (Intel Math Kernel Library) 9.1 libraries. In case of Visual Studio 2005 IDE build, multiple configurations for single/double precision, 32-bit/64-bit platforms, debug/release mode can coexist. In this case, the libraries and executables are named with the same name but they reside in different directories created for multiple configurations. In case of command-line-build mechanism, only one configuration can exist at a time.
Features: 1. Provides support for parallel (MPI) version. 2. Makes use of assembly loops to improve the performance. 3. Supports both 64-bit and 32-bit Windows platforms. 4. Provides support for Visual Studio 2005 IDE build as well as command-line build (using nmake utility). 5. Can be built in single or double precision mode. 6. Can be configured to use Intel Math Kernel Library (IMKL). 7. Can be built in Release or Debug mode. 8. IDE build mechanism supports batch build. 9. Gromacs binaries/libraries can co-exist for single/double precision, debug/release mode, normal/parallel (MPI) version, default/IMKL libraries and for 64-bit/32-bit platforms. 10. Windows port does not modify the existing source code; it just adds the Windows specific code using the compiler preprocessor directives. Please refer the readme-windows.txt and "Migration of Gromacs 3.3.1 on Microsoft Windows.doc" files shipped with this package for more details.
CPU version: All MS_Windows version: XP/NT/95 Libraries: Static Size: 17633280 FFTW version: 2.1.3 MPI support: no Installation prefix: customizable Comments: This is an unsupported native port of Gromacs to MS Windows. Start setup.exe after you have extracted all files. Note that you will have to specify the location of cpp in your mdp files - I\'ve included a free cpp in the gromacs binary directory. Contributed by: Erik Lindahl (lindahl@gromacs.org)