GROMACS: Fast, Free and Flexible MD
 
 
 
How fast is GROMACS compared to other programs?
Friday, 09 September 2005
GROMACS is fast, VERY fast. In fact, on all benchmarks we've tested it's 3-10 times faster than any other program we've tried, many of which are commercial. On x86 hardware GROMACS really excels due to the assembly loops. Of course, speed isn't everything. There are cases where we don't support a certain algorithm that program X supports, and vice versa. For instance, our assembly loops are only available in single precision. In any case - show us a benchmark were some other program is faster and we'll be happy to implement that algorithm.
 
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