[gmx-users] grompp

Nathan Moore nmoore at physics.umn.edu
Wed Jun 8 17:03:43 CEST 2005

I'm working with a ppc32 system with the intention of finding the best set
of optimizations for the architecture and xlC compiler. (eg comparing
"-O3" to "-O3 -qhot", etc)

In testing performance, is it safe to compile only different versions of
the mdrun executable, while using the same grompp to generate the .tpr run

Does anyone have --disable-float, (ie double-precision) benchmark data for
Villin (or any of the other GROMACS benchmarks)?  I'm very intertested in
making this comparison.


NT Moore

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