[CP2K-user] [CP2K:16505] Molecular Dynamics Input and "bash: ...: Permission denied" - reg.

[Gowtham Babu]

Dear all,

Our research group is new to CP2K.  For our research work, we need to run 
some MD simulations.  I followed  QuantumNerd 
<https://www.youtube.com/channel/UCgQPek4ZSo_yL7wEjIhxvfA>'s tutorial 
https://youtu.be/wsNmmoPHg7o to install the .ssmp version of CP2K on our 
workstation.  I'm getting a message like "bash: ...: Permission denied" 
while I try to run the .ssmp version of CP2k. Don't know what I'm doing 
wrong need help with it. I've attached herewith this message the 
screenshots of my trail.

Also, I've gone through the CP2K Lectures at HPC-UGent (2019) 
<https://www.youtube.com/watch?v=v2vnZbhNEpw&list=PLmyvbvD-MCiFyHmEOwyto_n-S2mGhbGQ9> but 
still trying to figure out "How I could create an input for Molecular 
dynamics simulation to run using CP2K?" A sample input file will do help.  
I've attached a .xyz file of one of the geometries for which I need MD 
simulation. Need help with creating CP2K input for complexes of this kind 
to run MD.

Thanks & Regards,
Gowtham Babu

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/8d4afec2-311e-49cb-ac2e-5f28ee71f4dfn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220126/1292684f/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 1.png
Type: image/png
Size: 116633 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220126/1292684f/attachment.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 2.png
Type: image/png
Size: 387245 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220126/1292684f/attachment-0001.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: dms with formaldehyde_oxide.xyz
Type: chemical/x-xyz
Size: 980 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220126/1292684f/attachment.xyz>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 4.png
Type: image/png
Size: 73266 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220126/1292684f/attachment-0002.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 3.png
Type: image/png
Size: 86830 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220126/1292684f/attachment-0003.png>