[CP2K-user] Problems using CP2K interfaced with ASE

[Lucas Bandeira]

Dear CP2K community,

I am starting performing calculations of water adsorption on an Au surface
using CP2K interfaced with ASE.

In my first attempt, I receive an error message that starts with "/bin/sh:
cp2k_shell: command not found cp2k_shell". But I am quite sure that the
path provided in the .sh file is right. I'm attaching the whole message in
this email, as well as the .py file I'm using, the .sh for running the
calculations and the CP2K input file.

Could somebody help me to solve this problem?

Yours faithfully,

Lucas Bandeira
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200808/739e8d29/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: water_Au.inp
Type: chemical/x-gamess-input
Size: 1839 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200808/739e8d29/attachment.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: waterAdsorption.py
Type: text/x-python
Size: 2738 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200808/739e8d29/attachment.py>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: slurm-444205.out
Type: application/octet-stream
Size: 1347 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200808/739e8d29/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: job.sh
Type: application/x-shellscript
Size: 586 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200808/739e8d29/attachment.bin>