Ls1 Mardyn source code
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andersx/ls1-mardyn
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INTRODUCTION: ------------- ls1 mardyn short description ... INSTALLATION: ------------- To build mardyn with the default target using GNU compiler and MPI simply call make in the src directory. cd src make If you want to use another compiler, disable MPI, ... you can run make help To see a list of all supported target platforms and compilers call make cfg_list and run then make with the desired cofiguration: make CFG=<config name> To display further information about the available suboptions for a configuration use make CFG=<cfg name> cfg_help USAGE: ------- The basic command to run ls1-mardyn is as follows: MarDyn [options] <inputfile> <timesteps> [outputprefix] where Mardyn is the executable build in the INSTALLATION section, [options] are any -- prefixed options as listed by 'MarDyn --help' <inputfile> is a input file <timesteps> is the number of time steps to be executed in the simulation loop and outputprefiy is an optional prefix for all result files detailed help can be obtained by running MarDyn --help example files can be found in the examples folder. For example: cd examples mpirun -np 2 MarDyn lj40000_t300.cfg 100
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