On Sun, Jun 02, 2019, Vaibhav Dixit wrote:
> NSTEP = 1500000 TIME(PS) = 3000.000 TEMP(K) = 270.99 PRESS =
>0.0
> NSTEP = 1500000 TIME(PS) = 3000.000 TEMP(K) = 69.08 PRESS =
>0.0
>.
>ERROR message from the PBS
>----------------
>[r11831vd.hlogin1 [csf3] 3A4-implicit-sol]$ tail amber-heat1.e441494
>sander.MPI 000000000048E81E main Unknown Unknown
>libc-2.17.so 00002B8EBCC55C05 __libc_start_main Unknown Unknown
>sander.MPI 000000000048E729 Unknown Unknown Unknown
>--------------------------------------------------------------------------
>mpirun detected that one or more processes exited with non-zero status,
>thus causing
Look at the mdout file: it looks like the job essentially finished (you
reached the maximum number of steps). Did the restart file get written?
It sometimes happens that problems occur turing writing out of the
timings, or an mpi_finalize command. Try to see if this is the case.
Does this error happen only for this run? Or do you ever see this
behavior on other parallel jobs?
...dac
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Received on Mon Jun 03 2019 - 05:00:02 PDT
