siesta在Linux运行,Siesta编译没有报错，但是一运行就出问题 - 第一原理 - 小木虫 - 学术 科研 互动社区...

Siesta编译没有报错，但是一运行就出现如下错误forrtl: severe (174): SIGSEGV, segmentation fault occurred，求助高手怎么解决。下面是我的arch.make文件。不胜感激！！

#

.SUFFIXES:

.SUFFIXES: .f .F .o .a .f90 .F90

SIESTA_ARCH=x86_64-unknown-linux-gnu--unknown

FPP=

FPP_OUTPUT=

FC=/usr/local/openmpi/intel/bin/mpif90

RANLIB=ranlib

SYS=nag

SP_KIND=4

DP_KIND=8

KINDS=$(SP_KIND) $(DP_KIND)

FFLAGS=-g -O2

FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DGRID_DP

LDFLAGS=

ARFLAGS_EXTRA=

FCFLAGS_fixed_f=

FCFLAGS_free_f90=

FPPFLAGS_fixed_F=

FPPFLAGS_free_F90=

BLAS_LIBS=$(MKLROOT)/lib/intel64/libmkl_blas95_lp64.a

LAPACK_LIBS=$(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a

BLACS_LIBS=$(MKLROOT)/lib/intel64//libmkl_blacs_openmpi_lp64.a

SCALAPACK_LIBS=$(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a

MKL_LIBS=-Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a $(MKLROOT)/lib/intel64/libmkl_core.a $(MKLROOT)/lib/intel6

4/libmkl_sequential.a -Wl,--end-group $(BLACS_LIBS) -lpthread -lm

COMP_LIBS=

NETCDF_LIBS=

NETCDF_INTERFACE=

LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS) $(MKL_LIBS) $(NETCDF_LIBS)

#SIESTA needs an F90 interface to MPI

#This will give you SIESTA's own implementation

#If your compiler vendor offers an alternative, you may change

#to it here.

MPI_INTERFACE= libmpi_f90.a

MPI_INCLUDE=/usr/local/openmpi/intel/include

#Dependency rules are created by autoconf according to whether

#discrete preprocessing is necessary or not.

.F.o:

$(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F)  $<

.F90.o:

$(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90) $<

.f.o:

$(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f)  $<

.f90.o:

$(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90)  $<