[gmx-users] parallel question!!!

Erik Lindahl lindahl at stanford.edu
Sun Apr 6 01:56:01 CEST 2003

On Thursday, Apr 5, 2001, at 12:30 US/Pacific, 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
> ----------------------------------------------------------------------- 
> ------
> *** Oops -- I cannot open the LAM help file.
> *** I tried looking for it in the following places:

Hm... you are getting a LAM error message, but you said you compiled  
with mpich?

"LAM" is never mentioned in Gromacs, so somewhere you must have  
compiled something with LAM or used a lam command - perhaps FFTW?


Erik Lindahl, MSc, PhD     <lindahl at stanford.edu>
D109, Fairchild Building
Dept. Structural Biology, Stanford University School of Medicine
Tel. 650-7250754    Fax. 650-7238464

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