Supported platforms and compilers¶

DIRAC requires Fortran 90, C, and C++ compilers. The program is designed to run on a unix-like operating system, and uses MPI for parallel calculations. Optionally DIRAC can (and should) be linked to platform specific BLAS and LAPACK libraries.

Tested on the following platforms¶

ClustervisionOS 4.0, GNU 4.3.6, system native BLAS/LAPACK
ClustervisionOS 4.0, Intel 11.1, MKL 11.1, system native BLAS/LAPACK
CrunchBang 11, GNU 4.7.2, system native BLAS/LAPACK, OpenMPI 1.6.5
Ubuntu 12.04, GNU 4.6.3, MKL 11.0, OpenMPI 1.6.5
Ubuntu 12.04, Intel 14.0.0, MKL 11.0, OpenMPI 1.6.5
Mac OS X Lion 10.7.5, GNU 4.6.2, system native BLAS/LAPACK, OpenMPI 1.6.5
Mac OS X Mavericks 10.9, GNU 4.8.2, system native BLAS/LAPACK
OpenSUSE 12.2, Intel 12.1.0, MKL 10.3.6, OpenMPI 1.6.4
Linux, Intel 13.0.1, MKL 11.0, Intel MPI 4.1
Linux, Intel 12.1.9, MKL 10.3, Bull X MPI 1.1

Compiles but does not pass all tests¶

Windows 7/8, system native BLAS/LAPACK, GNU MinGW32/64, only tiny portion of tests fails

Compiles but untested on the following environments¶

SGI Altix ICE 8200, Intel 11.1
Cray XE6, Intel 12.1.5
IBM AIX, XL Fortran V13.1, XL C V11.1, g++, builtin math

Additional dependencies due to PCMSolver¶

It is optionally possible to enable the polarizable continuum model functionality. The functionality is provided using the external module PCMSolver. The module requires additional dependencies:

the zlib compression library, version 1.2 or higher;
the Boost set of libraries, version 1.54 or higher.

The module performs checks on the system to find an installation of Boost that has the suitable version. The search is directed towards conventional system directories. If the search fails, the module will build a copy of Boost on the spot. If your system has Boost installed in a nonstandard location, e.g. /boost/location, you have to direct the search by adding the following flags to the setup script:

$ ./setup -DBOOST_INCLUDEDIR=/boost/location/include -DBOOST_LIBRARYDIR=/boost/location/lib

By default, compilation of the module is enabled. CMake will check that the additional dependencies are met. In case they are not, compilation of PCMSolver will be disabled. CMake will print out which dependencies were not satisfied. Passing the option -DENABLE_PCMSOLVER=OFF to the setup script will disable compilation of the module and skip detection of additional dependencies.

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