INSTALL GFORTRAN MAC PORT FULL
You need to specify the full path to these compiler wrappers, otherwise octopus will use the system mpicc and mpif90, which will not work. Then remember that you need to use the 'MPI' compilers, e.g export CC=`which mpicc-mpich-mp`
INSTALL GFORTRAN MAC PORT SERIAL
Start by exporting the same environment variables as in the serial case.
INSTALL GFORTRAN MAC PORT INSTALL
Install port mpich-default or openmpi-default. If you want to use all of your cores/cpus when running octopus, then you need to compile a parallel version of it.
configure -prefix=$HOME -enable-gdlib -disable-mpi -with-netcdf-prefix=$HOME -with-sparskit=$HOME/lib/libskit.a -with-etsf-io-prefix=$HOME -with-blas=-lveclibfort -with-fft-lib="-L$HOME/lib -lfftw3" Now you need to tell octopus' configure script about all the libraries you have just compiled: You can make check just to confirm that everything went OK. configure CPPFLAGS='-DpgiFortran' -disable-cxx -prefix=$HOME Get netcdf, untar it and cd to the directory where you untared it. When compilation finishes just copy libskit.a to $HOME/lib. Then edit makefile and set F77=gfortran-mp-11. Get SPARSKIT2, untar it and cd to the directory where you untared it. configure -prefix=$HOME -with-netcdf-module-path=$HOME/include -with-netcdf-ldflags="-L$HOME/lib -lnetcdf" -with-moduledir=$HOME/include Get etsf_io, untar it and cd to the directory where you untared it. Set these environment variables before building the libraries:Įxport FCFLAGS="-O3 -I$HOME/include -L$HOME/lib"Įxport FFLAGS="-O3 -I$HOME/include -L$HOME/lib"Įxport F90FLAGS="-O3 -I$HOME/include -L$HOME/lib"Īll these variables might be overkill, as most of the libraries read only one or two of them, but it's better to be safe than sorry -) Now, in order to build the other libraries you just need to follow the standard configure, make, make install sequence, as below. If you want to build them by hand for some reason, you could continue as below. You may optionally install ports gd2, netcdf-fortran, sparskit, etsf_io, and an MPI implementation (mpich or openmpi). For development, the automake, autoconf, and libtool (for libxc) ports are needed too. If you like, you can also try the ports atlas, openBLAS, or openBLAS-devel, which possibly will give better performance, but can take a long time to install. for each, to run its testsuite then do install afterward if it succeeds.)įor BLAS and LAPACK, the easiest is to install the very small port veclibfort, which is an interface to the built-in optimized Accelerate framework. (If you like, you can first run sudo port test. GSL is available in the "gsl" port the +optimize variant may give you faster performance.
Leave your computer running and go for a looong coffee.įFTW3 is available in the "fftw-3" port, which must have the Fortan interface enabled by selecting a Fortran variant (as below). You'll have to login as root or use sudo to install packages. To install the packages you just need to do port selfupdate to get the most recent package database and then port install gcc11. Install gcc11 (or a different version of gcc if you prefer). Install Macports according to these instructions: These instructions always assume that you are using macports. To install it one should use either macports, fink, or homebrew. This is probably not necessary unless you want to do development or install a pre-release version from svn.Īlthough OS X installs part of the GNU compiler tools automatically, it lacks a Fortran compiler. Sudo port install octopus +gcc11 +mpich +etsf_io +netcdf +sparskit +gdlibĪlternately, you can proceed with the full instructions to build by hand. You can specify various variants for octopus as well, which specify some optional supporting libraries and the compilers used. Sudo port install fftw-3 +gfortran octopus See info in the next section about installing MacPorts, and then you can just do You can now simply install an octopus package from MacPorts ( ). Installation of octopus package from MacPorts
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