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Fri May 22 2009
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Jussi Lehtola
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Some notes about the GROMACS Fedora package:
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- In order to prevent name clashes with other software, all 
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binaries have been renamed to start with g_ . For instance
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grompp is now g_grompp and mdrun is now g_mdrun.
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- All binaries are available in single and dual precision.
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The binaries with the _d suffix are double precision versions.
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For instance g_mdrun is single precision and g_mdrun_d is double
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precision.
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- MPI enabled binaries are in gromacs-mpi. These contain, too,
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both single and double precision versions. Single precision
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versions have _mpi suffix, double precisin versions _mpi_d suffix.
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For instance g_mdrun_mpi and g_mdrun_mpi_d.
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- Debug versions are available of all libraries and binaries with the
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_debug suffix. For instance the debug version of g_mdrun_mpi_d is
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g_mdrun_mpi_d_debug. The debug versions have been compiled without assembly
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loops, so they are much slower than the normal versions.