Hi,
On Jul 26, 2006, at 4:31 PM, David van der Spoel wrote:
Arthur Roberts wrote:
Hi, David,
One question. I know that fftw3 can not be enabled
with mpi, while fftw2 can. Your email implies that
fftw3 without mpi can be used with gromacs that is mpi
enabled. I guess my question is. Can you use fftw3
without mpi with mpi enabled gromacs? I appreciate
your help.
yes, that's right. the parallellism is now handled by gromacs itself.
And that goes for FFTW2 and Intel MKL transforms as well. All
communication is now done in Gromacs, and we only call non-parallel
transforms in the libraries.
Thus, you no longer need to enable MPI when compiling FFTW2.
Cheers,
Erik
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