QM/MM topology error

[Michal Kochman]

Dear Dr Laino,

a pure MM (FIST) job does indeed run successfully.

I notice now that the crash in the QM/MM job seems to be some kind of
segfault. I'm posting the error message from the QM/MM job below:


forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
cp2k.popt          00000000018D6B05  Unknown               Unknown
Unknown
cp2k.popt          0000000001899B54  Unknown               Unknown
Unknown
cp2k.popt          00000000018505EF  Unknown               Unknown
Unknown
cp2k.popt          00000000010FE9AE  Unknown               Unknown
Unknown
cp2k.popt          00000000008BC11A  Unknown               Unknown
Unknown
cp2k.popt          000000000051495B  Unknown               Unknown
Unknown
cp2k.popt          00000000004BC280  Unknown               Unknown
Unknown
cp2k.popt          00000000004BB544  Unknown               Unknown
Unknown
cp2k.popt          00000000004BA331  Unknown               Unknown
Unknown
cp2k.popt          00000000004B92FC  Unknown               Unknown
Unknown
libc.so.6          0000003D4601D994  Unknown               Unknown
Unknown
cp2k.popt          00000000004B9209  Unknown               Unknown
Unknown
--------------------------------------------------------------------------
mpirun has exited due to process rank 6 with PID 6270 on
node eddie287 exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------