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REMD计算时出现错误,急求解决方法!!!谢谢大家!

作者 fengrui826
来源: 小木虫 1900 38 举报帖子
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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.
--------------------------------------------------------------------------
forrtl: error (78): process killed (SIGTERM)
Image              PC                Routine            Line        Source            
libintlc.so.5      00007F9E69FFC721  Unknown               Unknown  Unknown
libintlc.so.5      00007F9E69FFAE77  Unknown               Unknown  Unknown
libifcore.so.5     00007F9E6A31E4C2  Unknown               Unknown  Unknown
libifcore.so.5     00007F9E6A31E316  Unknown               Unknown  Unknown
libifcore.so.5     00007F9E6A289DBC  Unknown               Unknown  Unknown
libifcore.so.5     00007F9E6A29AB63  Unknown               Unknown  Unknown
libpthread.so.0    000000363A60F790  Unknown               Unknown  Unknown
sander.MPI         0000000000684984  Unknown               Unknown  Unknown
sander.MPI         00000000006862F8  Unknown               Unknown  Unknown
sander.MPI         000000000059E89D  Unknown               Unknown  Unknown
sander.MPI         0000000000540272  Unknown               Unknown  Unknown
sander.MPI         000000000053DE7E  Unknown               Unknown  Unknown
sander.MPI         0000000000494B1E  Unknown               Unknown  Unknown
libc.so.6          000000363A21ED5D  Unknown               Unknown  Unknown
sander.MPI         0000000000494A29  Unknown               Unknown  Unknown
--------------------------------------------------------------------------
mpirun has exited due to process rank 0 with PID 32215 on
node localhost.localdomain 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).
--------------------------------------------------------------------------

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