[CP2K-user] Error while force fitting (Tutorial)

Abhijit Gogoi gogoiab... at gmail.com
Wed Jun 23 16:13:47 UTC 2021


Dear All,
              I am very new to the CP2K software. I am trying to learn this
software by going through some tutorials provided in the CP2K webpage.
However, I ran into trouble while trying out the following tutorial

https://www.cp2k.org/exercises:2014_uzh_molsim:h2o_ff

When I run the script for force fitting to get the force field parameters
for water I got the following error

Program received signal SIGSEGV: Segmentation fault - invalid memory
reference.

Backtrace for this error:
#0  0x4a30eaf in ???
#1  0xa2c83b in ???
#2  0x6005b2 in ???
#3  0x603cac in ???
#4  0x5fea46 in ???
#5  0x5fb1dc in ???
#6  0x4aec673 in ???
#7  0x4aec7b1 in ???
#8  0x5fe2eb in ???


I am attaching the input scripts and the error file to this mail.

I am using cp2k6.1 (ssmp) which is a binary file I downloaded from CP2K
webpage.

Could anyone please help me out with this?

Sincerely
Abhijit Gogoi
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Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:
#0  0x4a30eaf in ???
#1  0xa2c83b in ???
#2  0x6005b2 in ???
#3  0x603cac in ???
#4  0x5fea46 in ???
#5  0x5fb1dc in ???
#6  0x4aec673 in ???
#7  0x4aec7b1 in ???
#8  0x5fe2eb in ???
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