AMBER Archive (2006)

Subject: Re: AMBER: mpich Amber7 problem

From: linfu (linfu3200_at_mail.sioc.ac.cn)
Date: Wed Jan 11 2006 - 03:27:57 CST


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_at_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_at_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_at_m2 6cpus_mpich]$
>
>
>
>Please, please. Anyone familiar with this problem?
>Jan
>
>
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        崑

 
                                 
        linfu
        linfu3200_at_mail.sioc.ac.cn
          2006-01-11

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