AMBER Archive (2005)

Subject: Re: AMBER: REM error

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Mon Sep 12 2005 - 20:04:33 CDT


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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