Dear Gromacs user, since a few days we try to get the heterogeneous parallelization on a Dell blade server with Tesla M2090 GPUs to work using the worksheet on the page:
http://www.gromacs.org/Documentation/Acceleration_and_parallelization we only get the OpenMM pure GPU version with mdrun-gpu running. Actually is the heterogeneous parallelization already working in the development version you can download using the link on the page: http://www.gromacs.org/Developer_Zone/Roadmap/GROMACS_4.6 and how can we get it running? Just adding the CMake variable GMX_GPU=ON when compiling mdrun did not enable the heterogeneous parallelization. We want to use the heterogeneous parallelization used in the 4.6 version to find out which is the optimal GPU/CPU ratio for our studied systems, since we soon have to buy machines for the upgrade of our cluster. Thanks a lot yours Sebastian
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