program with mpirun doesn't operate

0
votes

I tried quantum computational program gamess with mpirun and it runned well yesterday. However, when I tried another calculation by the same procedure, it failed with next messeages.How can I fix it? I confirmed that there was no mpi process running and I cleaned cache memories also..

MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 911.

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.

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).

1
mpiopenmpi

1 Answers

1
votes

Something in the application called MPI_ABORT on rank 0. You'll have to look at the code to figure out why it was called, but my guess is that there was some bad input. I don't know much about GAMESS though. You might try asking the GAMESS people directly. They have a website (http://www.msg.ameslab.gov/gamess/) which includes a way to contact them.