CELL_OPT on hexagonal structure: unavoidable crashes

[Nuri Yazdani]

Hi All,
I am trying to do a CELL_OPT on a hexagonal structure. An example input 
file is attached. The first crash occurs if I try to fix the symmetry. If I 
use a Hexagonal cell with gamma=60, and set SYMMETRY HEXAGONAL in the CELL 
options, the crash occurs at the beginning of optimization step 2 in the 
first geo_opt (see attached output files with _GEO-crash). 
If I use SYMMETRY NONE in CELL options, and KEEP_ANGLES TRUE in the 
CELL_OPT section I can get the first geometry optimization to run, but then 
it crashes right after the first geometry optimization is complete (See 
attached output with CELL-crash).
I am running with:
 CP2K version 5.0 (Development Version)
 SVN source code revision svn:17468
 cp2kflags: fftw3 pexsi parallel mpi3 scalapack

Usually when I get crashes with cp2k, it turns out in the end to be a 
problem with my input, but this time around I have not been able to figure 
out where the problem is originating!

Any help would be highly appreciated!!
Cheers,
Nuri
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