[CP2K:3261] Re: QM/MM topology error

[Teodoro Laino]

Hi,

the bug should be fix both in the main trunk and in the revision 2_1 (QC on revision not performed: hopefully the bug fix has been imported properly in that branch).

Teo

On May 19, 2011, at 6:48 PM, Michal Kochman wrote:

> 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).
> --------------------------------------------------------------------------
> 
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