[gmx-users] fftw3f errors despite having the right libraries in the right places installation on MAC

maria goranovic mariagoranovic at gmail.com
Thu Jan 3 11:24:40 CET 2013


Did start from scratch, and things were normal this time. thank you !

On Fri, Dec 28, 2012 at 2:22 PM, maria goranovic
<mariagoranovic at gmail.com>wrote:

> thank you, Mark. I will try to restart from scratch
>
>
> On Fri, Dec 28, 2012 at 1:10 AM, Mark Abraham <mark.j.abraham at gmail.com>wrote:
>
>> Standard procedure is to do
>>
>> ./configure
>> make
>> sudo make install
>>
>> or
>>
>> ./configure --prefix=/somewhere/you/can/write/to
>> make
>> make install
>>
>> I suggest you use sudo to get rid of your progress to date and start
>> again.
>> Using sudo anywhere else is a recipe for trouble.
>>
>> Mark
>>
>> On Thu, Dec 27, 2012 at 3:41 PM, maria goranovic
>> <mariagoranovic at gmail.com>wrote:
>>
>> > I will try to fix this. Thank you.
>> >
>> > Now, the problem I have is that the executables all belong to root, and
>> as
>> > a user, I am unable to execute them. How to fix this little one?
>> >
>> > Maria
>> >
>> > On Thu, Dec 27, 2012 at 3:36 PM, Mark Abraham <mark.j.abraham at gmail.com
>> > >wrote:
>> >
>> > > sudo should not be necessary for looking in those directories. Whoever
>> > set
>> > > them up has not set up the permissions on them properly. Fix the
>> problem,
>> > > not the symptoms - you do not want to have to configure software as
>> root,
>> > > or you are trusting every author of that software not to trash your
>> > system
>> > > accidentally.
>> > >
>> > > On Thu, Dec 27, 2012 at 3:31 PM, maria goranovic
>> > > <mariagoranovic at gmail.com>wrote:
>> > >
>> > > > turned out to be a sudo problem. without sudo, the compiler could
>> not
>> > > look
>> > > > into the root directories. sorry for spamming :(
>> > > >
>> > > > On Thu, Dec 27, 2012 at 2:25 PM, maria goranovic
>> > > > <mariagoranovic at gmail.com>wrote:
>> > > >
>> > > > > Yes, I can see them in printenv
>> > > > >
>> > > > > does this have anything to do with single or double precision?
>> > > > >
>> > > > >
>> > > > > On Thu, Dec 27, 2012 at 1:38 PM, Mark Abraham <
>> > > mark.j.abraham at gmail.com
>> > > > >wrote:
>> > > > >
>> > > > >> Are those variables actully showing up in your environment?
>> > > > >>
>> > > > >> On Thu, Dec 27, 2012 at 11:31 AM, maria goranovic
>> > > > >> <mariagoranovic at gmail.com>wrote:
>> > > > >>
>> > > > >> > Dear All
>> > > > >> >
>> > > > >> > I am trying to install 4.5.5 on my mac. I have installed fftw3
>> > with
>> > > > >> > --enable-float, and have used the CPPFLAGS and LDFLAGS options
>> in
>> > my
>> > > > >> > .bashrc file. GROMACS still complains that "configure: error:
>> > Cannot
>> > > > >> find
>> > > > >> > fftw3f library".
>> > > > >> >
>> > > > >> > Why is it not able to find the libraries?
>> > > > >> >
>> > > > >> > Here are the specific details:
>> > > > >> >
>> > > > >> > content of .bashrc:
>> > > > >> >
>> > > > >> > export CPPFLAGS="-I/usr/local/include"
>> > > > >> > export LDFLAGS="-L/usr/local/lib"
>> > > > >> >
>> > > > >> > % ls /usr/local/lib/*fft*
>> > > > >> > /usr/local/lib/libfftw3f.a /usr/local/lib/libfftw3f.la
>> > > > >> >
>> > > > >> > % ls /usr/local/include/*fft*
>> > > > >> > /usr/local/include/fftw3.f /usr/local/include/fftw3.f03
>> > > > >> > /usr/local/include/fftw3.h /usr/local/include/fftw3l.f03
>> > > > >> > /usr/local/include/fftw3q.f03
>> > > > >> >
>> > > > >> > Any ideas what might be going wrong?
>> > > > >> >
>> > > > >> > Thank you
>> > > > >> >
>> > > > >> >
>> > > > >> > --
>> > > > >> > Maria G.
>> > > > >> > Technical University of Denmark
>> > > > >> > Copenhagen
>> > > > >> > --
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>> > > > >> --
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>> > > > >
>> > > > >
>> > > > > --
>> > > > > Maria G.
>> > > > > Technical University of Denmark
>> > > > > Copenhagen
>> > > > >
>> > > >
>> > > >
>> > > >
>> > > > --
>> > > > Maria G.
>> > > > Technical University of Denmark
>> > > > Copenhagen
>> > > > --
>> > > > gmx-users mailing list    gmx-users at gromacs.org
>> > > > http://lists.gromacs.org/mailman/listinfo/gmx-users
>> > > > * Please search the archive at
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>> >
>> >
>> >
>> > --
>> > Maria G.
>> > Technical University of Denmark
>> > Copenhagen
>> > --
>> > gmx-users mailing list    gmx-users at gromacs.org
>> > http://lists.gromacs.org/mailman/listinfo/gmx-users
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>
>
>
> --
> Maria G.
> Technical University of Denmark
> Copenhagen
>



-- 
Maria G.
Technical University of Denmark
Copenhagen



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