Author Topic: ricc2/mp2 job crashes  (Read 433 times)

Jerry

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ricc2/mp2 job crashes
« on: May 01, 2017, 12:01:26 pm »
Hi,
My mp2 and ricc2 jobs are crashing at the beginning of the jobs.  I have set ulimit to unlimited and still get the error.

increment for numerical differentiation : 0.00050000

   =========================================================================

     Energy of reference wave function is -2085.4887107690001
     Maximum orbital residual is           0.2184277404840E-05


     Number of symmetry-nonredundant auxiliary basis functions:     3833

     Block lengths for integral files:
        frozen occupied (BOI):        2 MiB
        active occupied (BJI):        3 MiB
        active virtual  (BAI):       44 MiB
        frozen virtual  (BGI):        0 MiB
               general  (BTI):       48 MiB

   =========================================================================


ricc2_mpi: Rank 0:22: MPI_Sendrecv: Message truncated
ricc2_mpi: Rank 0:28: MPI_Sendrecv: Message truncated
MPI Application rank 22 exited before MPI_Finalize() with status 14
forrtl: error (78): process killed (SIGTERM)
forrtl: error (78): process killed (SIGTERM)
Image              PC                Routine            Line        Source
ricc2_mpi          0000000001A27AD5  Unknown               Unknown  Unknown


Thanks,
Jerry

Jerry

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Re: ricc2/mp2 job crashes
« Reply #1 on: May 01, 2017, 05:09:19 pm »
Found the problem.  I needed to tighten $scfconv.  Changed to $scfconv 9.  Job is running fine.

Jerry