Dear Tom Joseph,
Thanks very much for your reply. I know what you mean. But problem is that after specify my input and output files correcly, I will still get the error.I am just confused. Could you help me figure it out? Thanks very much!
Best wishes
Qinghua Liao
fantastic_0919.yahoo.com.cn or fantasticqhl.yahoo.com
________________________________
发件人： Tom Joseph <ttjoseph.gmail.com>
收件人： AMBER Mailing List <amber.ambermd.org>
已发送： 2009/6/15(周一), 下午7:54:19
主题： Re: [AMBER] parallel error
Did you run sander.MPI without any input files? If you don't specify
any it will do an MPI abort.
--Tom
On Mon, Jun 15, 2009 at 3:31 AM, 廖青华<fantastic_0919.yahoo.com.cn> wrote:
> Hi amber users,
>
> I encountered the error of parallel calculations. I use the ifort compiler to compile amber, and also using mpich2 as parallel software. After compiling parallel vertion of amber, I run sander.MPI, but I got the error like this:
>
> application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0[unset]: aborting job:
> application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
>
> I don't know what's the problem, can someone help me to figure it out? Any response will be appreciated.
>
> All the best,
>
> Qinghua Liao
> fantastic_0919.yahoo.com.cn or fantasticqhl.yahoo.com
>
>
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Received on Mon Jul 06 2009 - 09:39:23 PDT
