Recipe to compile abinit 7.8.2 on UBUNTU 14.04 (64bits)

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Recipe to compile abinit 7.8.2 on UBUNTU 14.04 (64bits)

Postby admin » Sun Sep 28, 2014 7:37 pm

Recipe for a x86-64 / ubuntu 14.04 (64bits) / abinit 7.8.2 :

Same procedure as for ubuntu 13.04 (64bits)/abinit 7.6.3 but without installing the etsf-io package.

We need etsf-io version 1.0.4 for abinit 7.8.x but, up to now, only version 1.0.3 is available on ubuntu :
root@ktulu:~# apt-cache show etsf-io | grep Filename
Filename: pool/universe/e/etsf-io/etsf-io_1.0.3-4build1_amd64.deb

Then, from a fresh install :

1) installation of theses packages :
Code: Select all
sudo apt-get -y install gcc g++ gfortran
sudo apt-get -y install patch

sudo apt-get -y install libnetcdf-dev

sudo apt-get -y install libfftw3-dev

sudo apt-get -y install libatlas-base-dev  libatlas3gf-base
sudo apt-get -y install liblapack3gf liblapack-dev
sudo apt-get -y install libblas3gf libblas-dev

sudo apt-get -y install openmpi-bin openmpi-common libopenmpi-dev

2) download of abinit sources ( )
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cd /tmp
tar xzf abinit-7.8.2.tar.gz
cd abinit-7.8.2

3) create a "" file :

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with_netcdf_libs="-L/usr/lib -lnetcdf -lnetcdff"
with_fft_libs="-L/usr/lib/x86-64-linux-gnu/ -lfftw3 -lfftw3f"
with_linalg_libs="-L/usr/lib64 -llapack -lf77blas -lcblas -latlas"

4) make abinit
Code: Select all
 ./configure --with-config-file="./"
make multi multi_nprocs=10

For the next steps ( 5-> 7 ), you can visit this topic.
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