Thank you for your answer.
I find an error in the *.in files, :
I have this irest = 1, ntx = 5, and sander cand find the velocities so I
change it to irest = 0, ntx = 1, because I start all the replicas with
the same minimized structure.
Thanks
Anthony
On Monday 12 September 2005 7:04 pm, Guanglei Cui wrote:
> Hi,
>
> Can you give more information? Your taorem_REP.in, taorem_REP.out,
> taoREM.LOG, etc. could be useful to see what has happened? Do you see in
> the directory you ran REM files like taorem_REP.out.000,
> taorem_REP.out.001, and so on?
>
> Regards,
>
> Guanglei
>
> Anthony Cruz wrote:
> > 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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Received on Tue Sep 13 2005 - 11:53:00 PDT
