MOLCAS Download Area


  • Order Molcas

    So, you decided you want Molcas? Here, you can find detailed information regarding purchases and our license policy. After filling in the order form, you will have to print and sign both the order and copyright pages. Then, you can either scan the pages and e-mail them (fast procedure) or send the papers by regular mail (can be quite slow).
  • Download Molcas binaries (users only)

    If you have a valid license for Molcas, you may download pre-built executables for the platforms listed below. This page is accessible only if you have a valid user ID, which you should have received if your order was succesful.
  • Verify that precompiled Molcas binaries are compatible with your operating system

    If you buy a Molcas license, which includes the source code, you can compile Molcas for practically any operating system which has Fortran and C compiler (Linux, MacOS, Windows, AIX, Solaris, FreeBSD, etc.)
    If you plan to buy a license with BINARY only option, we recommend you to verify that we have binaries compatible with your operating system. The official list of the distributed binaries is given below.  NOTE: please be sure that the GNU Fortran (gfortran) and C (gcc) compilers as well as a Perl interpreter are properly installed and available on your system.  You can easily check whether your system is compatible with an interested binary distribution by downloading the Molcas's binary compatibility checker. By clicking on the interested package  you will be prompted to download an archive. After downloading and unpacking it,  just  enter the 'M8checkbin' directory and execute the 'test.pl' script.  If everything went well, then you will get the "Congratulations! Your platform is suitable ..." message. Otherwise, you should check another binary distribution.

    # Package
    Parallel
    MPI library
    Linux Distribution
    Release
    OS
    bitness
    1 Test package for Debian/Ubuntu NO
    Debian/Ubuntu
    v7/v12-v14
    64-bit
    2 Test package for RedHat/CentOS NO
    RedHat/CentOS
    v5-v6
    64-bit
    3 Test package for OpenMPI-1.6.5 Debian/Ubuntu YES
    OpenMPI v1.6
    Debian/Ubuntu
    v7/v12-v14
    64-bit
    4 Test package for OpenMPI-1.8.1 Debian/Ubuntu YES
    OpenMPI v1.8
    Debian/Ubuntu
    v7/v12-v14
    64-bit
    5 Test package for MPICH2-1.5 Debian/Ubuntu YES
    MPICH2  v1.5
    Debian/Ubuntu
    v7/v12-v14
    64-bit
    6 Test package for OpenMPI-1.6.5 RedHat/CentOS YES
    OpenMPI v1.6
    RedHat/CentOS
    v5-v6
    64-bit
    7 Test package for OpenMPI-1.8.1 RedHat/CentOS YES
    OpenMPI v1.8
    RedHat/CentOS
    v5-v6
    64-bit
    8 Test package for MPICH2-1.5 RedHat/CentOS YES
    MPICH2  v1.5
    RedHat/CentOS
    v5-v6
    64-bit
    9 Test package for MacOSX NO
    Mac OS X
    v10.8-v10.9
    64-bit
    10 Test package for OpenMPI-1.6.5 MacOSX YES
    OpenMPI v1.6
    Mac OS X
    v10.8-v10.9
    64-bit
    11 Test package for OpenMPI-1.8.1 MacOSX YES
    OpenMPI v1.8
    Mac OS X
    v10.8-v10.9
    64-bit
  • Download Luscus

    You can build/view molecules, visualize orbitals and/or select active spaces, and a lot more with a program called Luscus. Luscus is available free of charge and can work with plugins, an easy way to interface with your own programs. Luscus is based on Molcas GV, for which development has now been discontinued in favour of Luscus. The Windows binaries are avaiable here.
  • Poster

    Documentation for off-line viewing

    If you want to help destroy some trees, you can print out these files:
  • Artworks

    Molcas logo 750.
    Molcas logo 300.
  • Extra Tools and downloads

    Download Tools directory containing patch for Tinker interface and Grid to Cube converter.