[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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