Dear all,
I'm experiencing problems running pH-REMD on my computer. I have these
machine: Intel® Xeon(R) CPU E5-2623 v3 @ 3.00GHz × 16, and I ran
simulations using pmemd.MPI with no problems (I have Amber14). Now I'm
using this command:
mpirun -np 16 pmemd.MPI -ng 8 -groupfile prova.grpfile &
Unfortunately, I get this error:
Running multipmemd version of pmemd Amber12
Total processors = 16
Number of groups = 8
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun has exited due to process rank 12 with PID 4994 on
node agachon exiting improperly. There are two reasons this could occur:
1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.
2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"
This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------
[agachon:04981] 7 more processes have sent help message help-mpi-api.txt /
mpi-abort
[agachon:04981] Set MCA parameter "orte_base_help_aggregate" to 0 to see
all help / error messages
Can you help me?
Elisa
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Received on Wed Feb 17 2016 - 06:30:03 PST
