I have tested gromacs-4.6.1 with k20. But when I run the mdrun, I met some problems. 1.GPU only support float accelerating? 2.Configure options are -DGMX_MPI ,-DGMX_DOUBLE . But if I run parallely with mpirun, it would get wrong with PMPI_Broadcast. 3. Configure options are -DGMX_MPI ,-DGMX_GPU.But if I run with gpu, the program would get wrong with the message'Segmentation Fault'.
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