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Gromacs with modified kernel

CMake 0.71% Batchfile 0.01% Shell 0.19% Python 0.48% C 87.94% C++ 8.32% Groff 0.54% TeX 1.04% PostScript 0.39% Awk 0.03% Perl 0.03% Scilab 0.01% Fortran 0.06% XSLT 0.02% Cuda 0.19% Objective-C 0.03% Yacc 0.03% Lex 0.01%

gromacs-5.1's Introduction

GROMACS-5.1.3

Gromacs with modified kernel

The non-bonded forces can be shifted in this version of GROMACS on machines running AVX 256 / AVX 128 FMA / SSE2 / SSE4.1 processors in single and double precision mode. You will need to pass -DSHIFT_FORCES=value to cmake when compiling Gromacs, with value being a floating point number that represents the distance (in nm) by which the interatomic distance is shifted.

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