Dear experts,<br><br>I have successfully installed a normal gromacs 4.5.4 installation on one of my machines.<br><br>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."<br>
<br>Does this mean that there is no longer the need to do a second configuration with --enable-mpi?<br clear="all"><br>Upon trying to configure using this command:<br><br>./configure --enable-mpi --program-suffix=_mpi<br>
<br>There is an error as below:<br><br>checking size of off_t... configure: error: in `/root/gromacs-4.5.4':<br>configure: error: cannot compute sizeof (off_t)<br>See `config.log' for more details.<br><br><br>-- <br>
Thanks,<br><br><br>