[Ifeffit] Solution to running Demeter on an ORNL computer

Bruce Ravel bravel at bnl.gov
Thu Dec 17 12:06:33 CST 2015

On 12/17/2015 11:34 AM, Matt Noerpel wrote:
> Writing to the list to update my situation
> <http://www.mail-archive.com/ifeffit%40millenia.cars.aps.anl.gov/msg05272.html>
> with the EPA computers was on my list of things to do today.  While we
> are both likely dealing with security issues, I don't know if this is
> the same problem we were having.  We could not run Demeter even with
> admin privileges.  The only possible way it would run was in safe mode.
> My solution was to follow Matt's instructions
> <http://www.mail-archive.com/ifeffit%40millenia.cars.aps.anl.gov/msg05386.html>
> to install Anaconda Python and Larch (which I apparently didn't need
> admin privileges for) and run Demeter with Larch as the backend instead
> of Ifeffit.  DAthena opens using Larch, but I am having issues with some
> features.  Mainly the LCF does not work quite right, but I'm not sure if
> that is just a problem with the reference library I am using or due to
> the issue on the Demeter to do list: "Use of stdev array in LCF is
> slightly incorrect, needs to be sensitive to the space in which the
> merge was made."  Rebinning all the references in DAthena seems to help,
> but it still doesn't work for fitting in k space.

I am thrilled that Athena + Larch works at all for anyone besides me. 
That by itself seems like a triumph!

I will be happy to entertain bug reports about Athena-using-Larch and I 
have no doubt that there will be many.  It is, at this stage, very 
loosely tested software.

> DAthena also runs on the slow side compared to old Athena on my work
> computer and DAthena on my personal computer which uses Ifeffit, but
> that could just be these computers.

Athena on Windows always seems dog slow to me, even on a pretty beefy 
computer.  In truth, it's been a long time since I last tested 
Athena-using-Larch on Windows.  Next month, when I am back from my 
holiday, I'll try to find some time to look into it.


> I am using the 0.9.23 pre3 release.  Hephaestus and Artemis also both
> open using Larch, though I haven't tried to use them.

  Bruce Ravel  ------------------------------------ bravel at bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Building 535A
  Upton NY, 11973

  Homepage:    http://bruceravel.github.io/home/
  Software:    https://github.com/bruceravel
  Demeter:     http://bruceravel.github.io/demeter/

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