Dear Amber list
I sell using the following to install mode without serial (initial test):
tar jxvf Amber 14.tar.bz2
export AMBERHOME = / home / Marcelo / PROGRAMS / amber14 #
(for bash, zsh, ksh, etc.)
as root, if you have not already installed:
sudo apt-get install csh flex gfortran g ++ xorg-dev \
zlib1g-dev libbz2-dev patch python-tk python-matplotlib
./configure gnu
source /home/Marcelo/PROGRAMS/amber14/amber.sh
# (for bash, zsh, ksh, etc.
make install
make test
Then have to set the bash (in my ubuntu use case in leptop then is .profile)
Marcelo.Marcelo: ~ $ vi .profile
export PATH
fi
PATH = $ PATH: $ HOME / PROGRAMS / amber14 / bin :.
export PATH
# Setting PATH
export AMBER14 AMBERHOME = "/ home / Marcelo / PROGRAMS / amber14"
export LD_LIBRARY_PATH = "$ {AMBERHOME} / lib"
export LD_LIBRARY_PATH = "$ {LD_LIBRARY_PATH}: $ {AMBERHOME} / lib"
Best regards
Marcelo
Marcelo Andrade Chagas, MSc
(PhD student)
Laboratório de Química Computacional e Modelagem Molecular - LQC-MM
*
http://lqcmm.qui.ufmg.br/
Departamento de Química da Universidade Federal de Minas Gerais - UFMG
Tel:(31)3409-5776
2016-02-23 10:25 GMT-03:00 Mahdieh Hadi <mahdieh.hadi.bric.ku.dk>:
> Hi again,
> I have run the following code to test the amber installation,
>
> Cd Users
> tar xvfj AmberTools15.tar.bz2 # (Note: extracts in an # “amber14”
> directory)
> export AMBERHOME=/Users/amber14 # (for bash, zsh, ksh, etc.)
> cd $AMBERHOME
> ./configure –help
> ./configure gnu
> source /users/amber14/amber.sh # for bash, zsh, ksh, etc.
> make install
> make test
>
> and it seems that there are no errors!
> The final sentences of the test code are as follows:
>
>
> Installation of AmberTools14 serial is complete at Tue Feb 23 14:23:54 CET
> 2016.
>
> ==============================================================
> /Users/amber14/src/Makefile not found, or -noamber was set.
> This is expected if you do not have Amber14.
> ==============================================================
> MHA:amber14 mha$ make test
>
> I don't know what could be the reason behind the past mentioned error :(
>
>
> ________________________________________
> From: David A Case [david.case.rutgers.edu]
> Sent: Tuesday, February 23, 2016 1:52 PM
> To: AMBER Mailing List
> Subject: Re: [AMBER] No exe file in Amberhome
>
> On Tue, Feb 23, 2016, Mahdieh Hadi wrote:
> >
> > dyld: Library not loaded: /Users/mha/amber14/lib/libfftw3.3.dylib
> > Referenced from: /Users/amber14/./a.out
> > Reason: image not found
> > Trace/BPT trap: 5
>
> This looks like a problem with the AmberTools installation. I'd suggest
> that
> you re-configure and compile, and look carefully for errors related to
> fftw3.
>
> Also, be sure to run the test cases: given the problem above, it seems
> likely
> that all the nab-based test cases will fail. It makes a big difference in
> the
> sorts of advice we give if we know whether you have a working AmberTools
> installation or not.
>
> ....good luck....dac
>
>
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Received on Tue Feb 23 2016 - 09:00:04 PST
