Dear experts, I have successfully installed a normal gromacs 4.5.4 installation on one of my machines.
I have read the Installation Instructions that "As of GROMACS 4.5, threading is supported, so for e.g multi-core workstations, MPI is no longer required." Does this mean that there is no longer the need to do a second configuration with --enable-mpi? Upon trying to configure using this command: ./configure --enable-mpi --program-suffix=_mpi There is an error as below: checking size of off_t... configure: error: in `/root/gromacs-4.5.4': configure: error: cannot compute sizeof (off_t) See `config.log' for more details. -- Thanks,
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