[AMBER] Fwd: MPI Runtime Error

From: Kusum Mehla <mehla.kusum.gmail.com>
Date: Sat, 30 May 2015 10:08:42 +0530

Hi all,
I have been facing problems with MPI parallel run. It shows error

student.student-ThinkCentre-M81:~/Desktop/CJE/M2-Cje$ ./min.sh
Starting Heating
Starting Density
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
Starting Equilibration

  Unit 30 Error on OPEN:
density.rst

application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
Starting 1ns Production

  Unit 9 Error on OPEN:
equil.rst

application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
Starting 2ns Production

  Unit 9 Error on OPEN:
prod1ns.rst

application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
Starting 3ns Production

  Unit 9 Error on OPEN:
prod2ns.rst

application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
Starting 4ns Production

  Unit 9 Error on OPEN:
prod3ns.rst

application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
Starting 5ns Production

  Unit 9 Error on OPEN:
prod4ns.rst

application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
End Of MD

For your reference, I am attaching complex PDB file. Please help


Kind Regards

Kusum Mehla


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Received on Fri May 29 2015 - 22:00:02 PDT
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