[CP2K-user] [CP2K:16388] Segmentation Fault during Force Matching

Rajorshi Chattopadhyay rajorshichat at gmail.com
Fri Dec 17 10:48:32 UTC 2021


Dear All,
I am trying to run the cp2k exercise on fitting empirical potential for 
water molecule using Force Fitting. However, I get a 'Program received 
signal SIGSEGV: Segmentation fault - invalid memory reference" error. The 
details of my system and simulation are as follows:

1. Version - cp2k 2.6.2
2. Input files - attached
3. Output - 
Program received signal SIGSEGV: Segmentation fault - invalid memory 
reference.

Backtrace for this error:
#0  0x7F8BC0B7CE08
#1  0x7F8BC0B7BF90
#2  0x7F8BC02AD4BF
#3  0xD08D8C
#4  0x42D9F9
#5  0x4316B5
#6  0x42AD3B
#7  0x42A47C
#8  0x7F8BC029883F
#9  0x42A4D8
#10  0xFFFFFFFFFFFFFFFF
Segmentation fault (core dumped)

4. Hardware - Intel(R) Xeon(R) CPU E5-2680 v3 @ 2.50GHz with 24 CPUs and 2 
threads per core (Architecture : x86_64), 32GB RAM and Ubuntu 16.04LTS

My knowledge of FORTRAN is not good. Any suggestions to get over this error 
will be very helpful.

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