[ase-users] Jacapo Error IOError: [Errno 2]

[Marcin Dulak]

Hi,

are you able to run the simple jacapo example (the one run during ase 
tests):
https://trac.fysik.dtu.dk/projects/ase/browser/trunk/ase/test/jacapo.py
Which ase version do you run?
I have just tested that the first example (three jobs) from
http://gilgamesh.cheme.cmu.edu/doc/software/jacapo/2-bulk/2.5-band-structure/2.5.0-band-structure.html
run fine with python 2.4.3 and ase-3.5.1.2175.
What about those?

Best regards,

Marcin

Rohan Dhall wrote:
> Hi,
>     I am trying to run a basic band structure calculation script on 
> Jacapo and I keep getting the included error. I saw a thread talking 
> about a similar problem online, but there seemed to be no solution. If 
> anyone knows how I can fix this, please let me know.
>
> Traceback (most recent call last):
>   File "graphene2.py", line 48, in <module>
>     energy = graphene.get_potential_energy()
>   File "/usr/local/lib/python2.7/dist-packages/ase/atoms.py", line 
> 494, in get_potential_energy
>     return self.calc.get_potential_energy(self)
>   File 
> "/usr/local/lib/python2.7/dist-packages/ase/calculators/jacapo/jacapo.py", 
> line 2180, in get_potential_energy
>     self.calculate()
>   File 
> "/usr/local/lib/python2.7/dist-packages/ase/calculators/jacapo/jacapo.py", 
> line 2661, in calculate
>     f = open(txt, 'r')
> IOError: [Errno 2] No such file or directory: 'graphene2.txt'
>


-- 
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Marcin Dulak
Technical University of Denmark
Department of Physics
Building 307, Room 229
DK-2800 Kongens Lyngby
Denmark
Tel.: (+45) 4525 3157
Fax.: (+45) 4593 2399
email: Marcin.Dulak at fysik.dtu.dk

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