[gpaw-users] GPAW parallel installation on El Capitan

[Varadharajan Srinivasan]

I also tried running mpirun with -x PYTHONPATH but that gave the same
error. Is there something wrong with the way the parallel version was
compiled?

Thanks,
Vardha.

On Fri, Apr 8, 2016 at 5:22 PM, Ask Hjorth Larsen <asklarsen at gmail.com>
wrote:

> I think someone who knows about the architecture would need to look at
> this.  gpaw-python is supposed to have the same configuration as
> normal Python, and it seems to be missing PYTHONPATH for instance.
>
> Best regards
> Ask
>
> 2016-04-08 13:43 GMT+02:00 Varadharajan Srinivasan
> <varadharajan.srinivasan at gmail.com>:
> > Dear Ask,
> >
> > Thank you for the prompt reply.
> >>
> >>
> >> You run "gpaw info" in serial, so it has no scalapack.
> >>
> >> Try "gpaw-python $(which gpaw) info".
> >>
> > I ran this and got an error :
> >  gpaw-python $(which gpaw) info
> > Traceback (most recent call last):
> >   File "/Users/vardha/Virtualenvs/gpaw-trunk/bin/gpaw", line 2, in
> <module>
> >     from gpaw.cli.main import main
> > ImportError: No module named gpaw.cli.main
> >
> >>
> >> In fact, someone should probably add that trick to the web page if it
> >> isn't there already.
> >>
> >> They don't find ASE installed.  Please check that you can import ase
> >> from gpaw-python, e.g. gpaw-python -c "import ase"
> >
> >
> > I then tried  gpaw-python -c "import ase" and got :
> > Traceback (most recent call last):
> >   File "<string>", line 1, in <module>
> > ImportError: No module named ase
> >
> > Is there something wrong with my paths? I installed GPAW in virtualenvs
> and
> > used  the .bash_profile  below.
> >
> > Thanks,
> > Vardha.
> >
> > # Set architecture flags
> > export ARCHFLAGS="-arch x86_64"
> >
> > # personal installation of pip
> > export PATH=/Users/$USER/pip_latest:$PATH
> > export PYTHONPATH=/Users/$USER/pip_latest:$PYTHONPATH
> >
> > pyver=`python -c "from distutils import sysconfig; print
> > sysconfig.get_python_version()"`
> >
> > # pip --user installations of packages
> > export PATH=/Users/$USER/Library/Python/${pyver}/bin:$PATH
> > export
> >
> PYTHONPATH=/Users/$USER/Library/Python/${pyver}/lib/python/site-packages:$PYTHONPATH
> >
> > # homebrew
> > # Ensure user-installed binaries take precedence
> > export PATH=/usr/local/bin:$PATH
> > export PYTHONPATH=/usr/local/lib/python${pyver}/site-packages:$PYTHONPATH
> > # hack gtk-2.0
> > export
> >
> PYTHONPATH=/usr/local/lib/python${pyver}/site-packages/gtk-2.0:$PYTHONPATH
> > # https://github.com/mxcl/homebrew/issues/16891
> > export PKG_CONFIG_PATH=`brew --prefix
> libffi`/lib/pkgconfig:$PKG_CONFIG_PATH
> > export PKG_CONFIG_PATH=/opt/X11/lib/pkgconfig:$PKG_CONFIG_PATH
> > export PKG_CONFIG_PATH=/usr/local/lib/pkgconfig:$PKG_CONFIG_PATH
> >
> > # virtualenv
> > # virtualenv should use Distribute instead of legacy setuptools
> > export VIRTUALENV_DISTRIBUTE=true
> > # Centralized location for new virtual environments
> > export PIP_VIRTUALENV_BASE=$HOME/Virtualenvs
> > # pip should only run if there is a virtualenv currently activated
> > export PIP_REQUIRE_VIRTUALENV=true
> > # cache pip-installed packages to avoid re-downloading
> > export PIP_DOWNLOAD_CACHE=$HOME/.pip/cache
> >>
> >>
> >> Then try within mpirun.
> >>
> >> Best regards
> >> Ask
> >>
> >> > Thanks,
> >> > Vardha.
> >> >
> >> > _______________________________________________
> >> > gpaw-users mailing list
> >> > gpaw-users at listserv.fysik.dtu.dk
> >> > https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
> >
> >
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20160408/095c3a01/attachment-0001.html>