[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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