mcsqs Segmentation fault

Alloy Theoretic Automated Toolkit (ATAT)
1

Dear Axel 2014 ,11, 9
When I use mcsqs to generate bestsqs, An erro (Segmentation fault) occurred.
The Parameters are setted as:
corrdump -l=rndstr.in -ro -noe -nop -clus -2=4
mcsqs -n=8
corrdump -l=rndstr.in -ro -noe -nop -2=4 -s=bestsqs.out !This is ok .
corrdump -l=rndstr.in -ro -noe -nop -2=4 -s=bestsqs.out -rnd ! there is Segmentation fault.

rndstr.in
3.8 3.8 3.8 90 90 90
0 0.5 0.5
0.5 0 0.5
0.5 0.5 0
0 0 0 Cu=0.5,Au=0.5
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I have tried a few times and red the manual but still can’t solve this problem. so I need you help.

                                                                                                  yours
                                                                                                  sc huang

~

2

I’m very sorry for the very delayed answer! (It is proposal writing season in the US and I have a high
teaching load this semester!)

The solution is simple: do not include the -nop option when you check the correlations:

corrdump -l=rndstr.in -ro -noe -2=4 -s=bestsqs.out -rnd

I’ve updated the documentation and added a descriptive error messae when -nop and -rnd are used together.

Thanks for the very effective bug report - I had all the info I needed!