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build-octopus-seq.sh
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Created
Tue, Aug 20, 23:07
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691 B
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text/x-shellscript
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Thu, Aug 22, 23:07 (2 d)
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rSCUSINGMPI using-mpi
build-octopus-seq.sh
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#!/bin/bash -l
# Build octopus (www.tddft.org) for sequential only (no OMP, no MPI) package
module purge
module load intel intel-mpi intel-mkl fftw gsl
# prefix location
mkdir install
INSTALL
=
$(
pwd
)
/install
# build libxc first
# -----------------
# download version 3.0 from http://www.tddft.org/programs/libxc/down.php?file=3.0.0/libxc-3.0.0.tar.gz
wget ...
# untar it
tar ...
# configure
./configure ...
# make
make ...
# make install
make install
# build octopus
# -----------------
# download the version 7.1 from http://octopus-code.org/down.php?file=7.1/octopus-7.1.tar.gz
wget ...
# untar it
tar ...
# configure it
./configure ...
# make
make ...
# make install
make install
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