[gmx-users] double precision and mpi
lindahl at stanford.edu
Thu Jul 25 17:14:54 CEST 2002
Yuguang Mu wrote:
>I compile the gromacs 3.1.4 using double precision and mpi .
>But I only can use it on one cpu, when I try it on 2 cpu , it crashes.
>Does anybody have some suggestions?
1. Is it working with MPI in single precision?
2. What kind of system are you simulation? If you are using PME, make sure
you have a double precision FFTW installed too.
More information about the gromacs.org_gmx-users