Re: AMBER: mpich Amber7 problem

From: linfu <linfu3200.mail.sioc.ac.cn>
Date: Wed, 11 Jan 2006 17:27:57 +0800

Hi Jan Dohnalek!
You have successfully compiled Amber7 sander with Mpich 1.2.7,So
Could you give me some details about how to compile Amber7 with Mpich in Linux system!

Thank you very much!

BEST WISHES

Fu Lin

        

======= 2006-01-10 22:31:38 艇壓栖佚嶄亟祇=======

>Hi,
>I think I have successfully compiled Amber7 sander with Mpich 1.2.7.
>However I am still getting this error (run out of web/google options how
>to fix this now):
>
>[dohnalek.m2 6cpus_mpich]$ mpirun -np 6 sander -O -i mdin -o mdout -p
>prmtop -c prmcrd -x mdcrd -v mdvel -e mden -inf mdinfo &
>[1] 25998
>[dohnalek.m2 6cpus_mpich]$ Warning: Command line arguments for program
>should be given
>after the program name. Assuming that -O is a
>command line argument for the program.
>Warning: Command line arguments for program should be given
>after the program name. Assuming that -i is a
>command line argument for the program.
>Unrecognized argument sander ignored.
>/home/dohnalek/amber/md_penta/6cpus_mpich/mdin: line 1: syntax error
>near unexpected token `&'
>/home/dohnalek/amber/md_penta/6cpus_mpich/mdin: line 1: `&cntrl'
>
>[1] Exit 2 mpirun -np 6 sander -O -i mdin -o
>mdout -p prmtop -c prmcrd -x mdcrd -v mdvel ...
>[dohnalek.m2 6cpus_mpich]$
>
>
>
>Please, please. Anyone familiar with this problem?
>Jan
>
>
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= = = = = = = = = = = = = = = = = = = =
                        

        崑

 
                                 
        linfu
        linfu3200.mail.sioc.ac.cn
          2006-01-11

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Received on Thu Jan 12 2006 - 06:10:05 PST
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