MShake Error

[ape33]

Executing a run using the MShake results in an unreasonable configuration after a few steps which will make the QM program crash.
The minimal working example ( files.zip ) yields the following error after 7 MD steps:

Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
ERROR STOP 

Error termination. Backtrace:
#0  0x558cdb27928e in __dftbp_common_globalenv_MOD_abortprogram
        at /root/dftbplus-24.1/src/dftbp/common/globalenv.F90:195
#1  0x558cdb32b4c1 in __dftbp_dftbplus_main_MOD_processgeometry
        at /root/dftbplus-24.1/src/dftbp/dftbplus/main.F90:1468
#2  0x558cdb331afe in __dftbp_dftbplus_main_MOD_rundftbplus
        at /root/dftbplus-24.1/src/dftbp/dftbplus/main.F90:236
#3  0x558cdb278370 in dftbplus
        at /root/dftbplus-24.1/app/dftb+/dftbplus.F90:33
#4  0x558cdb27408e in main
        at /root/dftbplus-24.1/app/dftb+/dftbplus.F90:11


         (-) dftbplus_periodic_stress: Error executing dftb+.
double free or corruption (out)
[1]    2621198 abort      ~/coding/PQ/build/apps/PQ run-01.in

When lowering the number of requested MD steps to 2, PQ claims to have ended normally, but issues the following error:

*************************************************************************
*                                                                       *
*                          PQ ended normally                            *
*                                                                       *
*************************************************************************

double free or corruption (out)
[1]    2621797 abort      ~/coding/PQ/build/apps/PQ run-01.in