[Pw_forum] problem about MPI

[Bo Peng]

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)
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20070605/9fa0427e/attachment.html>