[Ifeffit] Substantial problems running ATOMS in Demeter 0.9.24

Bruce Ravel bravel at bnl.gov
Wed Jun 8 12:30:32 CDT 2016

On 06/03/2016 02:29 PM, Jeff Catalano wrote:
> The message sequence from this morning prompted me to inquire if anyone
> can provide help with ATOMS crashing on my own computer. I am running
> Demeter 0.9.24 on Windows 10 Pro 64. I did a fresh install of Demeter
> after having removed all older versions of Demeter 0.9, including the
> Demeter folders in C:\Users\<username>\AppData\Roaming\. My problem is
> unfortunately simple and something I do not know how to fix: Whenever I
> hit the "Run Atoms" button, stand-alone atoms crashes. The program
> simply dies, and no files are written. I am able to enter text, save an
> atoms.inp file, and reload an atoms.inp file, but "Run Atoms" crashes
> the program. I have tested this with a simple compound, NaCl, using the
> attached atoms.inp file. Note that I don't want to work on NaCl, I just
> used this to test a simple structure. The log file associated with the
> crash is attached.  The log file says Windows 8, but I think this is
> just hows Windows 10 shows up as that is what I am running, from a clean
> Windows 10 install. Anyway, when I load this atoms.inp file or enter the
> same information by hand the program crashes. I was able to load and run
> this atoms.inp file in the old version of atoms (3.0.1) and produced the
> attached feff_oldATOMS.inp file.  I thus don't think it is a data entry
> problem.
> I hope that I have provided enough information. I have no problems
> running ATHENA, ARTEMIS, or HEPHAESTUS. Given the log file I suspect
> this is something unique to my computer, but I am stumped as to what it
> could be as I am running a standard OS with a standard install on Demeter.

Hi Jeff,

I did not respond to this earlier, but I wanted to confirm that I saw 
your message and it's on my to-do list.


  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/

More information about the Ifeffit mailing list