#! /bin/bash # Intallation script for parallelised abinit in rocks cluster 5.3 # Run this script as root to install abinit-7.6.4 in /share/apps/abinit-7.6.4 mkdir /share/apps/configrepo ####netcdf #First, make sure netcdf is installed in /share/apps/netcdf cd /share/apps/configrepo mkdir /share/apps/configrepo/netcdf cd /share/apps/configrepo/netcdf wget www2.fizik.usm.my/tlyoon/Download/netcdf-4.3.2.tar.gz tar -zxvf netcdf-4.3.2.tar.gz cd netcdf-4.3.2 ./configure --prefix=/share/apps/netcdf CC=/state/partition1/apps/mpich2/bin/mpicc CXX=/state/partition1/apps/mpich2/bin/mpicc FC=/state/partition1/apps/mpich2/bin/mpif90 --disable-netcdf-4 make make install #### end of netcdf # The following is the script for complete installation of abinit with most plugin-options enabled. It works in anicca. ################################################################################ mkdir /root/.abinit mkdir /root/.abinit/tarballs cd /root/.abinit/tarballs #wget https://launchpad.net/bigdft/1.7/1.7.1/+download/bigdft-1.7.1.tar.bz2 #from original source wget www2.fizik.usm.my/tlyoon/Downloads/tarballs/bigdft-1.7.1.tar.bz2 #Note: Bigdft may fail to be downloaded. So it is manually downlaod from #https://launchpad.net/bigdft/1.7/1.7.1/+download/bigdft-1.7.1.tar.bz2 #to /root/.abinit/tarballs cd /share/apps/configrepo wget http://www2.fizik.usm.my/configrepo/howto/abinit/abinit-7.6.4.tar.gz tar -zxvf abinit-7.6.4.tar.gz cd abinit-7.6.4 wget http://www2.fizik.usm.my/configrepo/howto/abinit/config-template.ac ./configure --with-config-file=config-template.ac --prefix=/share/apps/abinit-7.6.4i make mj4 make install #Note 2: In my Rocks 5.3, the mpich2 in /share/apps was compiled with fortran compiler. This scrip implicitly assumed intel fortran compilers are available #in the path.