[gmx-users] gromacs 3 compilation

sadhna sadhana at che.iitb.ac.in
Thu Nov 15 12:01:01 CET 2001

hello all,
         I have problem in installing gromacs3.0 in IRIX machine
i am really confused as to how to proceed further...

when i try to install fftw using the package fftw-2.1.3.tar.gz giving the
./configure --enable-float --enable-type-prefix=PATH
i get the follwoing error message on running make

libtool: link: libtool library
`lib/usr1/tmp/sadhna/gromacs/fftw-2.1.3fftw.la' m
ust begin with `lib'
Try `libtool --help --mode=link' for more information.
*** Error code 1 (bu21)
*** Error code 1 (bu21)

and when with the option:
./configure --enable-float-prefix=PATH
i get the following error after running make install

Cannot create /usr/local/lib/#inst.23118# - Permission denied
*** Error code 2 (bu21)
*** Error code 1 (bu21)
*** Error code 1 (bu21)

and when with the option ./configure --prefix=PATH

fftw is installed but while compiling gromacs3 i get the following error;

configure: error: Cannot find any single precision fftw.h or sfftw.h
Do you have single precision FFTW installed? If you are using packages,
note that you also need fftw-devel to compile GROMACS. You can find the
software at www.fftw.org, and detailed instructions at www.gromacs.org.
If you compiled FFTW yourself:
Note that the default FFTW setup is double precision. Change the FFTW
configuration to single with --enable-float. If you want MPI support,
/usr1/tmp/sadhna/gromacs/fftw-2.1.3use --enable-mpi. It is a good idea to
install both single & double.

If your sysadm doesn't want to install it you can do it to a location
in your home directory and provide the correct paths in the CPPFLAGS
and LDFLAGS environment variables before running configure.
That is also necessary to do if your compiler doesn't search
/usr/local/include and /usr/local/lib by default.
You can find information at www.gromacs.org, or in the INSTALL file.

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