Hello Albert,
Is there an error message at the end of your mdout files? If so, what is it?
Best,
VinÃcius Wilian D Cruzeiro
PhD Candidate
Department of Chemistry, Physical Chemistry Division
University of Florida, United States
Voice: +1(352)846-1633<tel:+1(352)846-1633>
On Oct 10, 2017, at 10:35 AM, Albert <mailmd2011.gmail.com<mailto:mailmd2011.gmail.com>> wrote:
Hello,
I am trying to perform a replica exchange simulation in Amber, but it
always failed with the following information:
mpirun -np 48 $AMBERHOME/bin/pmemd.MPI -ng 24 -groupfile
equilibrate.groupfile
Running multipmemd version of pmemd Amber16
Total processors = 48
Number of groups = 24
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 10
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 16
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 38
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 14
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 44
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 42
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 46
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 26
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 36
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 32
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 28
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 34
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 24
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 18
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 12
I am just wondering how to solve this problem?
thank you very much.
Albert
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Received on Tue Oct 10 2017 - 08:00:02 PDT
