Dear amber users
After I installed amber as parallel successfully, I run energy minimization
correctly. But in heating step, I encountered with following error:
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.
--------------------------------------------------------------------------
[compute-0-0.local][[56620,1],1][btl_tcp_frag.c:215:mca_btl_tcp_frag_recv]
mca_btl_tcp_frag_recv: readv failed: Connection reset by peer (104)
--------------------------------------------------------------------------
mpirun has exited due to process rank 0 with PID 14580 on
node compute-0-0.local 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).
--------------------------------------------------------------------------------------------
1) What is the reason of this error?
2) How to resolve it?
Any help will highly appreciated.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Apr 26 2015 - 09:30:02 PDT
