Dear all,
I have lam/mpi installed in a nonstandard directory,
which is possibly a reason why I have the following problem:
I cannnot make the Gromacs ./configure script locate the fftw3 library:
> which mpicc
/usr/local/lam-7.1.1-32bit-gnu/bin//mpicc
Following the instructions in
http://www.gromacs.org/gromacs/installation/installation-instructions.html
I compile FFTW using the following sequence of commands:
./configure --enable-float --enable-threads --prefix=/home/joe/fftw
make
make install
Then I set the following environment variables:
setenv LDFLAGS -L/home/joe/fftw/lib
setenv CPPFLAGS -I/home/joe/fftw/include
setenv MPICC /usr/local/lam-7.1.1-32bit-gnu/bin/mpicc
moving to gromacs installation directory I start the
configure command:
./configure --enable-mpi
which results in
...
...
...
checking for fftw3.h... yes
checking for main in -lfftw3f... no
configure: error: Cannot find fftw3f library.
Notably, if the --enable-mpi option is skipped, ./configure
completes successfully. However, I do need the mpi version.
Any suggestions how to explain to configure where
is main in fftw3f ?
Thank you for your help,
Ivana
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