BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES

[resofidentity]

Hello all,

I run a BP86 job with BJ, RI, MARIJ, TRUNC and COSMO in TM 7.4.1. after the dscf convergence it crashes with

Code: [Select]

   total number of SCF-basis functions       : 2660

COSMO: already initialized
 COSMO stati: segments per atom: H   32 other atoms   92
forrtl: severe (173): A pointer passed to DEALLOCATE points to an object that cannot be deallocated
Image              PC                Routine            Line        Source             
ridft_mpi          0000000001714249  Unknown               Unknown  Unknown
ridft_mpi          00000000008124BF  cosmo_module_mp_c        2138  cosmo_module.f
ridft_mpi          0000000000810D86  cosmo_module_mp_c        2294  cosmo_module.f
ridft_mpi          0000000000412968  MAIN__                    711  ridft.f
ridft_mpi          000000000040C3E2  Unknown               Unknown  Unknown
libc-2.12.so       000000398E41ED20  __libc_start_main     Unknown  Unknown
ridft_mpi          000000000040C2E9  Unknown               Unknown  Unknown

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 0 PID 6892 RUNNING AT doppler40.local
=   KILLED BY SIGNAL: 9 (Killed)
===================================================================================

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 2 PID 6894 RUNNING AT doppler40.local
=   KILLED BY SIGNAL: 9 (Killed)
===================================================================================

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 3 PID 6895 RUNNING AT doppler40.local
=   KILLED BY SIGNAL: 9 (Killed)
===================================================================================

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 4 PID 6896 RUNNING AT doppler40.local
=   KILLED BY SIGNAL: 9 (Killed)
===================================================================================

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 5 PID 6897 RUNNING AT doppler40.local
=   KILLED BY SIGNAL: 9 (Killed)
===================================================================================

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 6 PID 6898 RUNNING AT doppler40.local
=   KILLED BY SIGNAL: 9 (Killed)
===================================================================================

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 7 PID 6899 RUNNING AT doppler40.local
=   KILLED BY SIGNAL: 9 (Killed)
===================================================================================



Any ideas what could be the problem?
best regards
 R.

[uwe]

Hi,

'trunc' is quite an old feature which has hardly been used. I assume that on modern machines the difference in speed (and that is just what it is about) won't be significant. COSMO is not compatible with it, so I'd recommend not to use 'trunc'.

Regards,
Uwe