[CP2K-user] [CP2K:13620] Error "Coodinate file not found"

Anton S. Lytvynenko tenebrosu... at gmail.com
Mon Jul 13 08:20:09 UTC 2020

Dear Lucas,

I wonder why it fails on your system, the run with xyz file started
without complains in my hands (ok, it made me to reboot my PC due to
severe hanging after consuming all RAM, but I am pretty sure that the
coordinates file was read). CP2K 7.1 (ssmp), Mint 19.3.

What is your OS and CP2K version?

I wonder why your run requests PDB at all, I found no mentions of PDB in
your input.



10.07.20 21:12, ban... at gmail.com пише:
> Dear cp2k community,
> I'm trying to perform some surface calculations, but I'm having some
> problems. When I try to run the job a have the error message: 
> "Coordinate file <Vacuum100AuSlab.pdb> not found." I get the same
> message also using the .xyz file. I have double-checked, and the files
> are in the same directory of the input file. I'm using ASE to generate
> the coordinate files.
> Maybe the file formats are not correct, or the problem is my input
> file?  I verified them, but I could not find any error. Could somebody
> help me solve this? Please.
> I'm sending in attachment the input file and the coordinate files that
> I'm using.
> Yours faithfully,
> Lucas Bandeira
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