[Wien] Segmentation Fault after CORE END

[Eric Kenney]

I'm having an issue with segmentation faults during LAPW cycles.  I keep
getting segmentation faults after running a standard run_lapw command:

run_lapw -ec 0.001
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
mixer              00000000004827DD  Unknown               Unknown  Unknown
libpthread-2.12.s  00000032F8C0F7E0  Unknown               Unknown  Unknown
mixer              0000000000415054  MAIN__                    999  mixer.F
mixer              000000000040475E  Unknown               Unknown  Unknown
libc-2.12.so       00000032F841ED1D  __libc_start_main     Unknown  Unknown
mixer              0000000000404669  Unknown               Unknown  Unknown

>   stop error


Naturally, I've been going through the mailing list and trying to deduce
what the issue here is.  The error occurs for a large range of RKmax values
(5-8) and a large range of K mesh values (1000-10000).  It occurs for -ec
0.001 to -ec 0.0000001, giving a large range on convergences.  I've tried
ulimit, but my cluster does not appear to have that command installed, nor
do I think it is the issue.

Interestingly, I haven't had this issue in the past with other lattices.
This lattice is NaMnO2 in the B2/m setting; imported straight from a .cif
file from Springer Materials.  I've done x nn, x sgroup and, x symmetry all
manually, and there seems to be no obvious issues here.  For reference, the
lattice parameters are as follows:

a=10.720416 b=11.929841  c=5.397058 90.000000 90.000000  122.340000
NA X=0.50000000 Y=0.50000000 Z=0.50000000
Mn X=0.00000000 Y=0.00000000 Z=0.00000000
O X=0.50170000 Y=0.22940000 Z=0.00000000
4 atoms per unit cell.

Thank you, and have a nice day!
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