[gmx-users] Error related to FFTW with enable-mpi option on Mac10.2 dual cpu (gmx3.1.5)

Taeho Kim taeho.kim at utoronto.ca
Wed Oct 9 00:24:57 CEST 2002

Hi all,  
I found that the errors related FFTW with enable-mpi option ("./configure --enable-thread --enable-float" at gromacs.org) had been discussed including FAQ.  I followed through the instructions after installing LAM-mpi, but I do not quite understand why I still got the same error.  

checking for MPI_Init... no
checking for MPI_Init in -lmpi... no
configure: error: couldn't find mpi library for --enable-mpi


Mac dual CPU, OS 10.2, gromacs-3.1.5-pre1, FFTW-2.1.3==> I want to take advantage of dual cpu system.  My "sw" directory is default, "/usr/local/", but I defined as follows and saw them using $SHELL.

setenv CPPFLAGS -I/sw/include
setenv LDFLAGS -L/sw/lib

I am just wondering how you would solve the problem. Any suggestion will be appreciated...
BTW, what if I use another option like "./configure --enable-threads" for parallel processing. What could be the difference from "--enable-mpi"
  Thanks in advance. Taeho

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