I managed it now. Thanks for all your help. Thomas -------- Original-Nachricht -------- > Datum: Thu, 17 Mar 2011 14:26:46 +0100 (CET) > Von: gmx-users-requ...@gromacs.org > An: gmx-users@gromacs.org > Betreff: gmx-users Digest, Vol 83, Issue 123
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Re: installation of gromacs (Mark Abraham) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Thu, 17 Mar 2011 12:24:46 +0100 > From: "Thomas Koller" <koller-tho...@gmx.de> > Subject: [gmx-users] installation of gromacs > To: gmx-users@gromacs.org > Message-ID: <20110317112446.249...@gmx.net> > Content-Type: text/plain; charset="utf-8" > > Now I get this again: > > checking for fftw3.h... configure: error: Cannot find the default external > FFT library (fftw3). > > Please follow my way: > > i) I unpacke fftw and gromacs to two folders. > iii) I go the the fftw folder and make: > - ./configure --prefix=$HOME/local/fftw3 --enable-sse --enable-shared > --enable-float > - make -j > - make install > - export CPPFLAGS="-I/home/local/fftw/include" > - export LDFLAGS="-L/home/local/fftw/lib" > > iii) Then I go (cd) to the folder gromacs-4.0.7 > - ./configure --prefix=$HOME/local/gromacs > - Now I get the error writen above. > > Is my way wrong, do I have to insert the fftw folder into the gromacs > folder, is the sequence wrong? > > I wish I can have access soon. :( > > Thomas > > -- > Empfehlen Sie GMX DSL Ihren Freunden und Bekannten und wir > belohnen Sie mit bis zu 50,- Euro! https://freundschaftswerbung.gmx.de > > > ------------------------------ > > Message: 2 > Date: Thu, 17 Mar 2011 22:28:33 +1100 > From: Mark Abraham <mark.abra...@anu.edu.au> > Subject: Re: [gmx-users] installation of gromacs > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: <7640bbf378.4d828...@anu.edu.au> > Content-Type: text/plain; charset="iso-8859-1" > > > > On 17/03/11, Thomas Koller <koller-tho...@gmx.de> wrote: > > Now I get this again: > > > > checking for fftw3.h... configure: error: Cannot find the default > external FFT library (fftw3). > > > > > > > > > Please follow my way: > > > > i) I unpacke fftw and gromacs to two folders. > > iii) I go the the fftw folder and make: > > - ./configure --prefix=$HOME/local/fftw3 --enable-sse > --enable-shared --enable-float > > > > You've installed in /home/local/fftw3... > > > > > - make -j > > - make install > > - export CPPFLAGS="-I/home/local/fftw/include" > > - export LDFLAGS="-L/home/local/fftw/lib" > > > > ... but told configure later to look in /home/local/fftw > > That doesn't work. > > Even when it does, it's likely that you'll still need to look at the last > few hundred lines of config.log to actually diagnose the problem... > > Mark > > > > > > > iii) Then I go (cd) to the folder gromacs-4.0.7 > > - ./configure --prefix=$HOME/local/gromacs > > - Now I get the error writen above. > > > > Is my way wrong, do I have to insert the fftw folder into the gromacs > folder, is the sequence wrong? > > > > I wish I can have access soon. :( > > > > Thomas > > > > -- > > Empfehlen Sie GMX DSL Ihren Freunden und Bekannten und wir > > belohnen Sie mit bis zu 50,- Euro! https://freundschaftswerbung.gmx.de > > -- > > gmx-users mailing list gmx-users@gromacs.org > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to gmx-users-requ...@gromacs.org. > > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: > http://lists.gromacs.org/pipermail/gmx-users/attachments/20110317/69c249d5/attachment-0001.html > > ------------------------------ > > Message: 3 > Date: Thu, 17 Mar 2011 12:31:04 +0100 > From: Diego Enry <diego.e...@gmail.com> > Subject: Re: [gmx-users] installation of gromacs > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: > <aanlktin+hhonkdrxnwd4qpvsrojaxuhu3a4jnasuu...@mail.gmail.com> > Content-Type: text/plain; charset=ISO-8859-1 > > You got this wrong > export CPPFLAGS="-I/home/local/fftw/include" > export LDFLAGS="-L/home/local/fftw/lib" > > replace by this > export CPPFLAGS="-I$HOME/local/fftw/include" > export LDFLAGS="-L$HOME/local/fftw/lib" > > > On Thu, Mar 17, 2011 at 12:24 PM, Thomas Koller <koller-tho...@gmx.de> > wrote: > > Now I get this again: > > > > checking for fftw3.h... configure: error: Cannot find the default > external FFT library (fftw3). > > > > Please follow my way: > > > > i) I unpacke fftw and gromacs to two folders. > > iii) I go the the fftw folder and make: > > - ./configure --prefix=$HOME/local/fftw3 --enable-sse > --enable-shared --enable-float > > - make -j > > - make install > > - export CPPFLAGS="-I/home/local/fftw/include" > > - export LDFLAGS="-L/home/local/fftw/lib" > > > > iii) Then I go (cd) to the folder gromacs-4.0.7 > > - ./configure --prefix=$HOME/local/gromacs > > - Now I get the error writen above. > > > > Is my way wrong, do I have to insert the fftw folder into the gromacs > folder, is the sequence wrong? > > > > I wish I can have access soon. :( > > > > Thomas > > > > -- > > Empfehlen Sie GMX DSL Ihren Freunden und Bekannten und wir > > belohnen Sie mit bis zu 50,- Euro! https://freundschaftswerbung.gmx.de > > -- > > gmx-users mailing list gmx-users@gromacs.org > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to gmx-users-requ...@gromacs.org. > > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > > -- > Diego Enry B. Gomes > Laboratório de Modelagem e Dinamica Molecular > Universidade Federal do Rio de Janeiro - Brasil. > > > ------------------------------ > > Message: 4 > Date: Thu, 17 Mar 2011 07:34:23 -0400 > From: "Justin A. Lemkul" <jalem...@vt.edu> > Subject: Re: [gmx-users] installation of gromacs > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: <4d81f1bf.8080...@vt.edu> > Content-Type: text/plain; charset=UTF-8; format=flowed > > > > Thomas Koller wrote: > > Now I get this again: > > > > checking for fftw3.h... configure: error: Cannot find the default > external FFT library (fftw3). > > > > Please follow my way: > > > > i) I unpacke fftw and gromacs to two folders. > > iii) I go the the fftw folder and make: > > - ./configure --prefix=$HOME/local/fftw3 --enable-sse > --enable-shared --enable-float > > - make -j > > - make install > > - export CPPFLAGS="-I/home/local/fftw/include" > > - export LDFLAGS="-L/home/local/fftw/lib" > > > > iii) Then I go (cd) to the folder gromacs-4.0.7 > > - ./configure --prefix=$HOME/local/gromacs > > - Now I get the error writen above. > > > > Is my way wrong, do I have to insert the fftw folder into the gromacs > folder, is the sequence wrong? > > > > Your CPPFLAGS and LDFLAGS are wrong. If you installed FFTW in > $HOME/local/fftw3, then the appropriate settings are > > CPPFLAGS="-I$HOME/local/fftw3/include" > LDFLAGS="-L$HOME/local/fftw3/lib" > > Note that your original error is related to the C compiler, not FFTW. > You've > been prompted several times to post relevant lines in config.log, but you > haven't, so please do, otherwise you (and everyone on the list) will keep > hacking away with no result. What C compiler is installed on your system? > Where is it installed? Is it in your PATH? > > -Justin > > > I wish I can have access soon. :( > > > > Thomas > > > > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > > > ------------------------------ > > Message: 5 > Date: Fri, 18 Mar 2011 00:25:47 +1100 > From: Mark Abraham <mark.abra...@anu.edu.au> > Subject: Re: [gmx-users] installation of gromacs > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: <764088426254.4d82a...@anu.edu.au> > Content-Type: text/plain; charset="iso-8859-1" > > > > On 17/03/11, Diego Enry <diego.e...@gmail.com> wrote: > > You got this wrong > > export CPPFLAGS="-I/home/local/fftw/include" > > export LDFLAGS="-L/home/local/fftw/lib" > > > > replace by this > > export CPPFLAGS="-I$HOME/local/fftw/include" > > export LDFLAGS="-L$HOME/local/fftw/lib" > > > > This is immaterial if Thomas installed to $HOME/local/fftw3 > > Mark > > > > > > > > > On Thu, Mar 17, 2011 at 12:24 PM, Thomas Koller <koller-tho...@gmx.de> > wrote: > > > Now I get this again: > > > > > > checking for fftw3.h... configure: error: Cannot find the default > external FFT library (fftw3). > > > > > > Please follow my way: > > > > > > i) I unpacke fftw and gromacs to two folders. > > > iii) I go the the fftw folder and make: > > > - ./configure --prefix=$HOME/local/fftw3 --enable-sse > --enable-shared --enable-float > > > - make -j > > > - make install > > > - export CPPFLAGS="-I/home/local/fftw/include" > > > - export LDFLAGS="-L/home/local/fftw/lib" > > > > > > iii) Then I go (cd) to the folder gromacs-4.0.7 > > > - ./configure --prefix=$HOME/local/gromacs > > > - Now I get the error writen above. > > > > > > Is my way wrong, do I have to insert the fftw folder into the gromacs > folder, is the sequence wrong? > > > > > > I wish I can have access soon. :( > > > > > > Thomas > > > > > > -- > > > Empfehlen Sie GMX DSL Ihren Freunden und Bekannten und wir > > > belohnen Sie mit bis zu 50,- Euro! https://freundschaftswerbung.gmx.de > > > -- > > > gmx-users mailing list gmx-users@gromacs.org > > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > > Please don't post (un)subscribe requests to the list. Use the > > > www interface or send it to gmx-users-requ...@gromacs.org. > > > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > > > > > > > -- > > Diego Enry B. Gomes > > Laboratório de Modelagem e Dinamica Molecular > > Universidade Federal do Rio de Janeiro - Brasil. > > -- > > gmx-users mailing list gmx-users@gromacs.org > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to gmx-users-requ...@gromacs.org. > > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: > http://lists.gromacs.org/pipermail/gmx-users/attachments/20110318/dfcd07b4/attachment.html > > ------------------------------ > > -- > gmx-users mailing list > gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > End of gmx-users Digest, Vol 83, Issue 123 > ****************************************** -- Schon gehört? GMX hat einen genialen Phishing-Filter in die Toolbar eingebaut! http://www.gmx.net/de/go/toolbar -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. 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