[CP2K-user] [CP2K:20213] CP2K-NewtonX interface, cannot find cp2k.ssmp

[Maxime Hodée]

Hello everyone,
I am trying to setup some calculations using the CP2K - NewtonX interface, 
as seen here https://manual.cp2k.org/trunk/methods/sampling/newton-x.html

However, when starting the initial condition job with NewtonX, I get the 
message "Cannot find CP2K program at /path_to_CP2K/bin/cp2k.ssmp"

Of course I searched for this cp2k.ssmp program in the CP2K files, finding 
only the expected cp2k.psmp and cp2k.popt. I am not sure if this is rather 
a NewtonX or CP2K issue, but as there is no documentation on the interface 
with CP2K in the NX manual, and no active NX forums, I turned my attention 
here.

Thanks in advance for your help,
Maxime

-- 
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/f8dc79f7-d125-4476-9cd0-c05fb8eed8d8n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240515/f212a756/attachment.htm>