Mcsqs -rc failed when doing zinc-blende expansion

Alloy Theoretic Automated Toolkit (ATAT)
1

My rndstr.in looks like:
4.54558 4.54558 4.54558 90.0000 90.0000 90.0000
1 0 0
0 1 0
0 0 1
0.250000000 0.250000000 0.750000000 N=0.5, Sb=0.5
0.250000000 0.750000000 0.250000000 N=0.5, Sb=0.5
0.750000000 0.250000000 0.250000000 N=0.5, Sb=0.5
0.750000000 0.750000000 0.750000000 N=0.5, Sb=0.5
0.000000000 0.000000000 0.000000000 Ga
0.000000000 0.500000000 0.500000000 Ga
0.500000000 0.000000000 0.500000000 Ga
0.500000000 0.500000000 0.000000000 Ga
With a sqscell.out:
1

2 0 0
0 2 0
0 0 2

After corrdump -l=rndstr.in -ro -noe -nop -clus -2=4, I just mcsqs -rc, but it gave me:

terminate called after throwing an instance of ‘std::bad_array_new_length’
what(): std::bad_array_new_length
Aborted

Which step is wrong?

2

I just ran these input files without any problem…
Could it be that your files have non-unix line termination?
try to do

fixeol -u rndstr.in
fixeol -u sqscell.out

before running your commands.

3

Is your cluster.out file (generated by corrdump) empty? That seems to happen to me when I try to apply to to zinc blende, and that leads mcsqs to get a seg fault.