Memory corruption error while running fitfc

Alloy Theoretic Automated Toolkit (ATAT)
1

Hello,

I am trying to fit the force constants for a HfO2 slab. My perturbation calculations progressed fine.
However, when I try to fit the force constants using: 'fitfc -f -er=8.5 -fr=4.25, I get the following error message:

Performing least square fit…
Problem size= 12960 x 45
Done
Creating Force constants…
Done
Performing normal modes calculations
kmesh= 6 5 2
*** Error in `fitfc’: double free or corruption (out): 0x00000000008f60a0 ***
Aborted (core dumped)

Could you please provide some directions as to where I may be going wrong?

Thank you,
Anjana

2

I’ve never seen this error. Please send me a tar file with all relevant files. Please omit large vasp output (typically all files in uppercase).

3

hello Anjana
have you solved this problem ? i also met the same recommendation. if you have solved it, can you please tell me the method how to remove this error?
Thank you very much
waiting your reply !

sincerely
yasmina

4

Hello, Prof. avdw,
I have the same problem. showing "vol_2
p+0.1_12_0
Generating Fitting matrices
1/576
Performing least square fit…
Problem size= 576 x 0
Done
Creating Force constants…
Done
Performing normal modes calculations
kmesh= 3 4 2
*** glibc detected *** fitfc: double free or corruption (out): 0x00000000022df830 ***
======= Backtrace: =========
/lib64/libc.so.6[0x3093e75f3e]
/lib64/libc.so.6[0x3093e78dd0]
fitfc[0x4152ca]
/lib64/libc.so.6(__libc_start_main+0xfd)[0x3093e1ed1d]
fitfc[0x4027a9]
======= Memory map: ========"
Have you solved the problem with the last user?
Can you help me to check the reason of the come out of this warning?

5

The problem size "12960 x 45" is very strange - very rectangular. Not enough springs to connect all atoms, perhaps?