[AMBER] Fw: mpirun Error opening unit 5

From: MinYuan <minyuan.mail.ustc.edu.cn>
Date: Wed, 29 Nov 2017 18:22:44 +0800 (GMT+08:00)

Sorry for bothering.

I mistook the working directory.

So everything goes well when I cd the right directory.

Best wishes
Yuan Min

发件人:MinYuan <minyuan.mail.ustc.edu.cn>
发送时间:2017-11-29 18:00:00 (星期三)
收件人: amber.ambermd.org
主题: mpirun Error opening unit 5


I have installed the MPI version of amber16 and test PASSED as manual.

But when I followed the tutorial at http://ambermd.org/tutorials/advanced/tutorial17/section1.htm

and typed the command ' mpirun -np 2 $AMBERHOME/bin/pmemd.MPI -O -i 01_min.in -o 01_min.o
ut -p ala_tri.prmtop -c ala_tri.inpcrd -r 01_min.rst'

Error come as
  Unit 5 Error on OPEN: 01_min.in

  Unit 5 Error on OPEN: 01_min.in
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.


Then I tried other tutorials,

same error come: e.g. 'Error opening unit 5: File "md_qmmm.in" is missing or unreadable'

But the input file was just saved from online tutorial.

What's wrong?

Looking forward to hear your reply soon.

Best wishes
Yuan Min
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Received on Wed Nov 29 2017 - 02:30:03 PST
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