Where assembly loops are in use, GROMACS performance is largely independent of the compiler used, so don't worry too much about it. The gcc 4.1.x series of compilers shipped with some Linux workstation distributions are broken for GROMACS - do not attempt to compile GROMACS with them. gcc version 4.5 is recommended, but for some very recent processors, gcc 4.6 can give better performance. However prior to version 4.5, we also provide the innermost loops for some platforms in Fortran to improve performance, so we strongly recommend you to use a Fortran compiler on those platforms if you can - it makes a huge difference! For modern Intel and AMD processors we provide faster loops written in assembler, so for those you should skip Fortran. GROMACS can be compiled entirely in C, which means you should be able to get it running on essentially any UNIX-style computer in the world. An ANSI C compiler, and (very rarely) a Fortran compiler.GROMACS relies on very few external dependencies, namely:
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