[gmx-users] parallel question!!!

PeiQuan Chen gromacs at 163.com
Sat Apr 5 21:31:02 CEST 2003


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

    -----------------------------------------------------------------------------
*** 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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