[Pw_forum] problem about MPI

[Stefano Baroni]

Dear Bo Peng,

welcome to our community. I am pleased that your post has been  
answered very quickly and I am sure so will you. We would greatly  
appreciate your signing in full (with name and affiliation) your  
correspondence with us. Is this possible?

Thanks - Stefano Baroni


On Jun 5, 2007, at 4:51 AM, Bo Peng wrote:

> Dear all,
>
> I have recently downloaded and installed PWscf 3.2.2. After  
> installation, I am trying to
> run the examples. My cluster is a Linux PC cluster with MPI  
> (mpich), use LSF system
> to manage the jobs. As the manual said (P. 20) "... if your machine  
> does not support
> interactive use, you must run the commands specified below through  
> the batch queueing
> system installed on that machine...."
>
> I have used a script to submit the job:
> －－－－－－－－－－－－－－－－－－－－－－－－－－
> #!/bin/bash
> #BSUB -q demo
> #BSUB -J ex01
> #BSUB -R span[ptile=2]
> #BSUB -o %J.log
> #BSUB -a mpich_gm
> #BSUB -c 4800:00
> #BSUB -n 16
>
> pw.x <  si.scf.cg.in > si.scf.cg.out
> －－－－－－－－－－－－－－－－－－－－－－－－－－
> errors：
> ...
> <MPICH-GM> Error: Need to obtain the job magic number in GMPI_MAGIC !
> /nfs/s07r2p1/beauchemist/.lsbatch/1181009945.198656.shell: line 10:  
> 27824
> Broken pipe       pw.x < si.scf.cg.in > si.scf.cg.out
>
> Then I change the script to:
> －－－－－－－－－－－－－－－－－－－－－－－－－－－
> #!/bin/bash
> ...
> #BSUB -n 16
>
> mpirun -np 16 pw.x -npool 8 < si.scf.cg.in > si.scf.cg.out
>
> －－－－－－－－－－－－－－－－－－－－－－－－－－－
> there is no error but the .out file is empty.
>
> When change it to：
> －－－－－－－－－－－－－－－－－－－－－－－－－－－
> #!/bin/bash
> ...
> #BSUB -n 16
>
> mpirun.lsf pw.x < si.scf.cg.in > si.scf.cg.out
> －－－－－－－－－－－－－－－－－－－－－－－－－－－
> error：
> 1 - MPI_COMM_RANK : Null communicator
> [1]  Aborting program !
> [1] Aborting program!
> 0 - MPI_COMM_RANK : Null communicator
> [0]  Aborting program !
> [0] Aborting program!
>
> I do not know what is the case，Any help is appreciated!
>
> PS: the followed is the summary of make.sys file (other variables  
> are empty):
> .f90.o:
>         $(MPIF90) $(F90FLAGS) -c $<
>
> .f.o:
>         $(F77) $(FFLAGS) -c $<
>
> .c.o:
>         $(CC) $(CFLAGS)  -c $<
>
>
> DFLAGS         =  -D__INTEL -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI - 
> D__PARA
> FDFLAGS        = $(DFLAGS)
>
> IFLAGS         = -I../include
>
> MODFLAGS       = -I./  -I../Modules  -I../iotk/src \
>                  -I../PW  -I../PH  -I../CPV
>
> MPIF90         = mpif90
> CC             = icc
> F77            = ifort
>
> CPP            = cpp
> CPPFLAGS       = -P -traditional $(DFLAGS) $(IFLAGS)
>
> CFLAGS         = -O3 $(DFLAGS) $(IFLAGS)
> F90FLAGS       = $(FFLAGS) -nomodule -fpp $(FDFLAGS) $(IFLAGS) $ 
> (MODFLAGS)
> FFLAGS         = -O2 -tpp6 -assume byterecl
>
> FFLAGS_NOOPT   = -O0 -assume byterecl
>
> BLAS_LIBS      = -L/opt/intel/mkl70/lib/32 -lmkl_ia32 -lguide - 
> lpthread
>
> LAPACK_LIBS    = -lmkl_lapack
>
> MPI_LIBS       = /usr/local/mpich/smp/intel32/ssh/lib/libmpichf90.a
>
> AR             = ar
> ARFLAGS        = ruv
> ARFLAGS_DYNAMIC= ruv
>
> RANLIB         = ranlib
>
> LIBOBJS        = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../ 
> iotk/src/libiotk.a
>
> LIBS           = $(LAPACK_LIBS) $(BLAS_LIBS) $(FFT_LIBS) $ 
> (MPI_LIBS) $(MASS_LIBS) $(PGPLOT_LIBS)
>
>
>
>

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html



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