[gmx-users] double precision and mpi

Erik Lindahl lindahl at stanford.edu
Thu Jul 25 17:14:54 CEST 2002

Yuguang Mu wrote:

>Dear all,
>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.



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