In this case check the permissions and ownership on your directory and
the files in it, making sure you can write to files there. "Unit 6"
suggests that there is a problem writing the mdout file. Does it
produce a heat.out file?
--Tom
2009/6/15 廖青华 <fantastic_0919.yahoo.com.cn>:
> Yes, the error is showed like"Unit 6 Error on OPEN: heat.rst", but heat.rst is the outputfile. Thanks very much!
>
> 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9:25:30
> 主题： Re: 回复： 回复： [AMBER] parallel error
>
> 2009/6/15 廖青华 <fantastic_0919.yahoo.com.cn>:
>> Yes, it shows that it can't open *.rst file, but the *.rst file is the output file. I am confused. The following lines is the information of the error when I run " /usr/local/mpich2/bin/mpirun -np 4 sander.MPI -O -i heat.in -o heat.out -p com_solvated.prmtop -c min3.rst -r heat.rst -x heat.mdcrd -ref min3.rst"
>
> Which file specifically is it referring to, min3.rst or heat.rst?
> Please give the exact sander error message from your heat.out file
> (e.g. something like "Unit 30 Error on OPEN: ...")..
>
> --Tom
>
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Received on Mon Jul 06 2009 - 09:39:59 PDT
