AMBER Archive (2009)

Subject: Re: 回复： 回复： 回复： [AMBER] parallel error

From: Tom Joseph (ttjoseph_at_gmail.com)
Date: Mon Jun 15 2009 - 09:06:05 CDT

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_at_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_at_yahoo.com.cn or fantasticqhl_at_yahoo.com
>
>
>
>
> ________________________________
> 发件人： Tom Joseph <ttjoseph_at_gmail.com>
> 收件人： AMBER Mailing List <amber_at_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_at_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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