[Smeagol-discuss] fw:parallel compilation problem

[ambavale sagar]

Hi, 
I tried many ways. But can not make it run in parallel. Can you please look at the problem and my arch.make file. I am sorry to post the same mail again.

Sagar

--- On Wed, 7/1/09, ambavale sagar <sagarambavale at yahoo.co.in> wrote:
From: ambavale sagar <sagarambavale at yahoo.co.in>
Subject: parallel compilation problem
To: "smeagol-post" <smeagol-discuss at lists.tchpc.tcd.ie>
Date: Wednesday, 7 January, 2009, 11:37 AM

Dear All and Alex,I compiled parallel smeagol on Xeon dual processor quad core workstation with lam-mpi and intel-mkl. the program compiled without giving any error message. Now when I tried to run the /examples/gamma/leads/Au.fdf on 2 or 4 nodes using command mpirun -np 4 ~/para-smgl/smeagol.1.0b/Src/smglpara <Au.fdf>Au.out it gives me the "forrtl: severe (174): SIGSEGV, segmentation fault occurred" error and stops at particular point :
SIESTA 1.3.7  -- [1.3f1 release] (04 Feb 2004)
Architecture  : intel-parallel-sagar
Compiler flags:  
PARALLEL version
NetCDF-capable

* Running on    4 nodes in parallel
>> Start of run:   7-JAN-2009  10:44:33


 ...........siesta: overlap:  12.1666  5.4652  
 2
siesta: overlap:  rmaxh   veclen  direction
siesta: overlap:  12.1666  7.7290   3

superc: Internal auxiliary supercell:     5 x     5 x     3  =      75
superc: Number of atoms, orbitals, and projectors:    150   150   600
 
* Maximum dynamic memory allocated =     2
 MB

siesta:                 ===============================
                            Begin MD step =      1
                        ===============================

superc: Internal auxiliary supercell:     5 x     5 x     3  =      75
superc: Number of atoms, orbitals, and projectors:    150   150   600

**********************
But when i use single node in a command i.e. mpirun -np 1 ~/para-smgl/smeagol.1.0b/Src/smglpara <Au.fdf>Au.outit runs successfully and ends normally. Where might be a mistake in compilation?Below is my arch.make file:****************
SIESTA_ARCH=intel-parallel-sagar
#
FC=/opt/MPI/lam-7.1.4/lam/bin/mpif90
FC_ASIS=$(FC)

#FFLAGS=  -O2
FFLAGS= -w -xP -O3 -mp1
LDFLAGS= -Vaxlib 
COMP_LIBS=
TRANSPORTFLAGS= -c -tpp7 -O3

SOURCE_DIR=/home/phy/para-smgl/smeagol.1.0b/
EXEC =
 smglpara

NETCDF_LIBS=-lnetcdf
NETCDF_INTERFACE=libnetcdf_f90.a
DEFS_CDF=-DCDF

MPI_INTERFACE=libmpi_f90.a
MPI_INCLUDE=/opt/MPI/lam-7.1.4/lam/include/
DEFS_MPI=-DMPI

GUIDE=/opt/intel/mkl/10.0.1.014/lib/em64t/libguide.a
LAPACK=/opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_lapack.a
BLAS=/opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_blas95.a
#sagar
BLACS= /opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_blacs_ilp64.a  /opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_em64t.a  /opt/intel/mkl/10.0.1..014/lib/em64t/libiomp5.a

SCALAPACK_LIBS= /opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_scalapack.a

LIBS_PATH=-L/opt/intel/mkl/10.0.1.014/lib/em64t

LIBS= $(LIBS_PATH) $(NETCDF_LIBS) $(SCALAPACK_LIBS) $(BLACS_LIBS) $(BLAS) $(LAPACK_LIBS) $(BLAS_LIBS) /home/guest/sagar/tran/smeagol.1.0b/Src/MPI/Interfaces.o    $(BLACS) $(OTHER_LIBS) -lpthread 

#
RANLIB=echo
SYS=bsd
DEFS= $(DEFS_CDF)
 $(DEFS_MPI)
#DEFS= $(DEFS_MPI)

#
..F.o:
    $(FC) -c $(FFLAGS)  $(DEFS) $<
..f.o:
    $(FC) -c $(FFLAGS)   $<
..F90.o:
    $(FC) -c $(FFLAGS)  $(DEFS) $<
..f90.o:
    $(FC) -c $(FFLAGS)   $<
                
#
***************************************

ThanksSagar AmbavaleResearch student.The M.S. University of BarodaIndia



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