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

[olivier Walker]

Erik Lindahl wrote:

> Hi,
>
> FFTW-2.1.5 is a bit old (but we need the included MPI transforms), so 
> the best way to configure it on AMD64 is likely to pick up the latest 
> versions of config.guess and config.sub from 
> ftp.gnu.org/pub/gnu/config, or just copy the gromacs ones to the fftw 
> directory.
>
> Cheers,
>
> Erik
>
> On Mar 8, 2005, at 5:04 PM, david.evans at ulsop.ac.uk wrote:
>
>> 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
>>>>
>> ----------------------------------------------------------------------
>> ---------
>>
>>>>
>>>> _______________________________________________
>>>> gmx-users mailing list
>>>> gmx-users at gromacs.org
>>>> http://www.gromacs.org/mailman/listinfo/gmx-users
>>>> Please don't post (un)subscribe requests to the list. Use the
>>>> www interface or send it to gmx-users-request at gromacs.org.
>>>>
>>>>
>>>>
>>> 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
>>>
>>> _______________________________________________
>>> gmx-users mailing list
>>> gmx-users at gromacs.org
>>> http://www.gromacs.org/mailman/listinfo/gmx-users
>>> Please don't post (un)subscribe requests to the list. Use the
>>> www interface or send it to gmx-users-request at gromacs.org.
>>>
>>>
>>>
>> _______________________________________________
>> gmx-users mailing list
>> gmx-users at gromacs.org
>> http://www.gromacs.org/mailman/listinfo/gmx-users
>> Please don't post (un)subscribe requests to the list. Use the
>> www interface or send it to gmx-users-request at gromacs.org.
>
>------------------------------------------------------------------------
>
>_______________________________________________
>gmx-users mailing list
>gmx-users at gromacs.org
>http://www.gromacs.org/mailman/listinfo/gmx-users
>Please don't post (un)subscribe requests to the list. Use the 
>www interface or send it to gmx-users-request at gromacs.org.
>
Many thanks to all of you,
I finally used the 32 bits version I compiled on other machines and it 
seems to work fine.

Olivier

-- 
++++++++++++++++++++++++++++++++++++++++++++++++++
Olivier WALKER
Laboratoire de RMN Biomoleculaire Université Claude Bernard - Lyon 1
CNRS UMR 5180 Sciences Analytiques
Domaine Scientifique de La Doua,
ESCPE-Lyon,bâtiment 308G
69622 Villeurbanne, France
Phone : +33 4 72 43 18 27
Fax : +33 4 72 43 13 95
mailto: olivier at hikari.cpe.fr
http://sakura.cpe.fr
+++++++++++++++++++++++++++++++++++++++++++++++++