[gmx-users] Problem with "configure"; Athlon64_fedora Core3

[david.evans at ulsop.ac.uk]

Hi,

Which fftw version are you using? I found you needed fftw-2.1.5
to build on a EM64T (Intel) machine.

However, I also found that it's not really a good idea speed-wise
to compile a 64-bit version (at least for Gromacs 3.2.1), because
it can't use the assembly loops. So I get much faster execution
using a 32-bit exec compiled on an older machine.

CVS has 64-bit assembly loops, I have not used these.

Dave 


---- Message from olivier Walker <olivier at hikari.cpe.fr> at
2005-03-08 16:47:34 ------
>Florian Haberl wrote:
>
>>Hi,
>>
>>
>>  
>>
>>>I'm trying to install Gromacs on a "AMD64" machine running fedora
core3,
>>>but the configure file generates errors related with fftw (I think)
>>>
>>>[root at irai gromacs-3.2.1]# ./configure --disable-float
>>>--enable-type-prefix=/usr/local/include
>>>checking build system type... x86_64-unknown-linux-gnu
>>>checking host system type... x86_64-unknown-linux-gnu
>>>checking for a BSD-compatible install... /usr/bin/install -c
>>>checking whether build environment is sane... yes
>>>.
>>>.
>>>.
>>>.
>>>.
>>>checking for fseeko... yes
>>>checking for sqrt in -lm... yes
>>>checking for dfftw.h... no
>>>checking for fftw.h... yes
>>>checking for main in -lfftw... no
>>>configure: error: Can't find a library to match the fftw header
>>>
>>>I previously installed the rpm package for fftw (being root) and
I've to
>>>say I had no problem installing it on other 32 bits machines
running
>>>mdk10.0.
>>>
>>>Do you have any idea of what I did wrong?
>>>
>>>    
>>>
>>Always best thing:
>>
>>Compile all on your machine also fftw, maybe rpm paket of fftw is
32 bit and 
>>not 64 bit as gromacs (which identify your cpu as a 64 bit machine)
will not 
>>work together
>>
>>Follow howto on
http://www.gromacs.org/installation/prerequisites.php
>>
>>
>>Greetings,
>>
>>Florian
>>
>>--------------------------------------------------------------------
-----------
>> Florian Haberl                            Universitaet Erlangen/
>> Computer-Chemie-Centrum    Nuernberg
>>                                                     
Naegelsbachstr. 25
>>                                                      D-91052
Erlangen
>>  Mailto: florian.haberl AT chemie.uni-erlangen.de
>>
----------------------------------------------------------------------
---------
>>
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>>
>>  
>>
>That's what I did when I saw rpm files didn't work, but installing
fftw 
>also generates errors !!!!
>
>checking whether ln -s works... (cached) yes
>checking host system type... Invalid configuration 
>`x86_64-unknown-linux-gnu': machine `x86_64-unknown' not recognized
>checking build system type... Invalid configuration 
>`x86_64-unknown-linux-gnu': machine `x86_64-unknown' not recognized
>checking for ld used by GCC... (cached) /usr/bin/ld
>checking if the linker (/usr/bin/ld) is GNU ld... (cached) yes
>checking for BSD-compatible nm... (cached) /usr/bin/nm -B
>loading cache ./config.cache within ltconfig
>ltconfig: you must specify a host type if you use `--no-verify'
>Try `ltconfig --help' for more information.
>configure: error: libtool configure failed
>
>Olivier
>
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