[Pw_forum] (no subject)

Chao Cao cao at qtp.ufl.edu
Mon Mar 24 05:02:15 CET 2008


Hi,
This is pretty standard unix environment thing. Add the path to your 
PATH environment variable. Please read some unix manual or tutorial if 
you don't know how to do that.


Chao Cao

程迎春 wrote:
> Thank you for your suggestions. When I specify the full path of pw.x, 
> the MPI with pw.x can run successfully.
>  
> Can you give more suggestions to avoid input full path of pw.x to run 
> mpi&pw.x?
>                                                                                           
> sincerely yours
>                                                                                              
>  Cheng YC
>
>  
> 2008/3/24, Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu 
> <mailto:akohlmey at cmm.chem.upenn.edu>>:
>
>     On Mon, 24 Mar 2008,  wrote:
>
>     YC> Dear all:
>
>     dear cheng,
>
>     YC>         I've successfully compiled parallel version pwscf
>     3.2.3 &4.0 on my
>     YC> system (suse10 for IA64). The included tests are passed. But I
>     can't run
>     YC> pw.x with mpi.
>     YC> To clearly show my problem, I describe it as follows:
>     YC> first, I test the mpi to check whether it can work. It works!
>
>     how did you test it?
>
>     YC> second, I test the pwscf. I run pw.x:$pw.x < al.scf.in
>     <http://al.scf.in> >al.scf.out&. it can
>     YC> work.
>
>     are you _sure_ you compiled a parallel version?
>     most MPI libraries do not allow the parallel executable
>     to be run without the MPI environment, ie. via mpirun.
>
>
>     YC> third, I test the mpi with pwscf. I run:$ mpirun -np 10 pw.x <
>     al.scf.in <http://al.scf.in> >
>     YC> al.scf. out &. it can't wrok.
>
>     YC>         The errors are:Missing: program name   Program pw.x
>     either does not
>     YC> exist, is not executable, or is an erroneous argument to mpirun.
>
>     is pw.x in your regular search path for exectuables?
>
>     try: which pw.x
>
>     also you can try specifying the full path to pw.x
>
>
>     finally, you should not use I/O redirection with parallel
>     execution. this is not handled portably across MPI implementations.
>     better to use the -in flag. to specify the input filename.
>
>     cheers,
>       axel.
>
>     YC> Is there any suggestions to solve this problem?
>     YC>
>     YC> sincerely yours
>     YC>
>     YC> Cheng YC
>     YC>
>     YC>
>     YC>
>
>     --
>     =======================================================================
>     Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu
>     <mailto:akohlmey at cmm.chem.upenn.edu>   http://www.cmm.upenn.edu
>       Center for Molecular Modeling   --   University of Pennsylvania
>     Department of Chemistry, 231 S.34th Street, Philadelphia, PA
>     19104-6323
>     tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
>     =======================================================================
>     If you make something idiot-proof, the universe creates a better
>     idiot.
>
>
>
>
> -- 
> Y. C. Cheng
> Department of Phyics
> Nanjing University
> Nanjing 210093
> P. R. China
> Tel: 86-25-83592907
> Email: yccheng.nju at gmail.com <mailto:yccheng.nju at gmail.com>
> ------------------------------------------------------------------------
>
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-- 
Chao Cao

Quantum Theory Project and Department of Physics
University of Florida, Gainesville, FL 32611
U.S.A.




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