Yes, the error is showed like"Unit 6 Error on OPEN: heat.rst", but heat.rst is the outputfile. Thanks very much!
Qinghua Liao
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________________________________
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 - 09:39:47 PDT
