AMBER Archive (2005)

Subject: AMBER: REM error

From: Anthony Cruz (acb15885_at_uprm.edu)
Date: Mon Sep 12 2005 - 19:06:05 CDT


Hi Users:
I try to run a REM job with the following command:

/usr/bin/mpirun -np 10 /home/asantana/amber/amber8/exe/sander.REM -ng 10 -rem
1 -remlog taoREM.LOG -inf taoREM.INF -O -i taorem_REP.in -o taorem_REP.out -c
taomin_R.rst -p tao_T.top -r taorem_REP.rst -x taorem_REP.mdcrd

This is the output:

RUNNING MULTISANDER VERSION OF SANDER AMBER8
     Total processors = 10
     Number of groups = 10

     Looping over processors:
        WorldRank is the global PE rank
        NodeID is the local PE rank in current group

        Group = 0
        WorldRank = 0
        NodeID = 0

        Group = 1
        WorldRank = 1
        NodeID = 0

        Group = 2
        WorldRank = 2
        NodeID = 0

        Group = 3
        WorldRank = 3
        NodeID = 0

        Group = 4
        WorldRank = 4
        NodeID = 0

        Group = 5
        WorldRank = 5
        NodeID = 0

        Group = 6
        WorldRank = 6
        NodeID = 0

        Group = 7
        WorldRank = 7
        NodeID = 0

        Group = 8
        WorldRank = 8
        NodeID = 0

        Group = 9
        WorldRank = 9
        NodeID = 0

MPI: On host gelato,
Program /home/asantana/amber/amber8/exe/sander.REM, Rank 2, Process 26086
called MPI_Abort(<communicator>, 1)

MPI: --------stack traceback-------
sh: line 1: idb: command not found

MPI: -----stack traceback ends-----
MPI: MPI_COMM_WORLD rank 2 has terminated without calling MPI_Finalize()
MPI: aborting job

What could be the problem???
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