[gmx-users] parallel question!!!

[David]

On Thu, 2001-04-05 at 21:30, PeiQuan Chen wrote:
> Dear gmx-users：
>     I have complied the mdrun_mpi on a supercomputer using the mpich-gcc lib.
>     But when I want to use the mdrun_mpi to do some calutions.The followings accured:
>     
>     grompp -np 2 -f water.mdp -p water.top -c spc216.gro -o water.tpr
>     /usr/local/mpich-gcc/bin/mpirun -np 2 /home/pqchen/gromacs/i686-pc-linux-gnu/bin/mdrun_mpi -s water.tpr -o water.trr
> 

did you run 
lamboot -v
?

>     -----------------------------------------------------------------------------
> *** Oops -- I cannot open the LAM help file.
> *** I tried looking for it in the following places:
> ***
> ***   $LAMHELPFILE
> ***   $HOME/lam-helpfile
> ***   $HOME/lam-6.5.4-helpfile
> ***   $HOME/etc/lam-helpfile
> ***   $HOME/etc/lam-6.5.4-helpfile
> ***   $LAMHELPDIR/lam-helpfile
> ***   $LAMHELPDIR/lam-6.5.4-helpfile
> ***   $LAMHOME/etc/lam-helpfile
> ***   $LAMHOME/etc/lam-6.5.4-helpfile
> ***   $SYSCONFDIR/lam-helpfile
> ***   $SYSCONFDIR/lam-6.5.4-helpfile
> ***
> *** You were supposed to get help on the program "ALL"
> *** about the topic "uninitialized"
> ***
> *** Sorry!
> -----------------------------------------------------------------------------
> [pqchen at isc pqchen]$ -----------------------------------------------------------------------------
> *** Oops -- I cannot open the LAM help file.
> *** I tried looking for it in the following places:
> ***
> ***   $LAMHELPFILE
> ***   $HOME/lam-helpfile
> ***   $HOME/lam-6.5.4-helpfile
> ***   $HOME/etc/lam-helpfile
> ***   $HOME/etc/lam-6.5.4-helpfile
> ***   $LAMHELPDIR/lam-helpfile
> ***   $LAMHELPDIR/lam-6.5.4-helpfile
> ***   $LAMHOME/etc/lam-helpfile
> ***   $LAMHOME/etc/lam-6.5.4-helpfile
> ***   $SYSCONFDIR/lam-helpfile
> ***   $SYSCONFDIR/lam-6.5.4-helpfile
> ***
> *** You were supposed to get help on the program "ALL"
> *** about the topic "uninitialized"
> ***
> *** Sorry!
> -----------------------------------------------------------------------------
> 
>     Can anybody tell me why?And how to resolve this problem?
>     
>     Thanks in advance!
> 
> Sincerely yours
> ---- 
> PeiQuan Chen
> ________________________________________________________________________
> PeiQuan Chen 	Department of Chemistry, Nankai University
> WeiJin Road 94, TianJin, 300071, P.R.China
> phone:	(86)2223506728		Mobile Phone: (+86)13920675030
> gromacs at 163.com	
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> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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