[Pw_forum] (no subject)

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Mon Mar 24 03:07:06 CET 2008

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 >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 >
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.


YC> Is there any suggestions to solve this problem?
YC> sincerely yours
YC> Cheng YC

Axel Kohlmeyer   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.

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