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zhizhuceyici

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虫号: 4078417
注册: 2015-09-17
性别: MM
专业: 固体力学

[求助] siesta计算提示 forrtl: severe (174): SIGSEGV, segmentation fault occurred

大家好，siesta软件可以成功编译而且大部分情况能够正常计算，但是有时候会报错误：
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
siesta_eig       000000000068FAD0  Unknown             Unknown  Unknown
siesta_eig       000000000068F3A1  Unknown             Unknown  Unknown
siesta_eig       000000000052B4D6  Unknown             Unknown  Unknown
siesta_eig       00000000008F0787  Unknown             Unknown  Unknown
siesta_eig       000000000042E50C  Unknown             Unknown  Unknown
libc.so.6       0000003AF641D994  Unknown             Unknown  Unknown
siesta_eig       000000000042E419  Unknown             Unknown  Unknown

我已经在小木虫上搜索过相关的帖子，尝试过把arch.make里面的-g -O* 优化调小或者加上-heap-arrays 64，也尝试过在～／.bashrc文件中加入ulimit -s unlimited。但是都没有，总是得到内存的问题。此外，同样的输入文件在台式机上单节点计算是没有问题的，所以应该还是和MPI有关。

我贴出我的arch.make文件如下：
.SUFFIXES:
.SUFFIXES: .f .F .o .c .a .f90 .F90

SIESTA_ARCH = x86_64

CC = mpiicc
FPP = $(FC) -E -P
FC = mpiifort
FC_SERIAL = ifort

#FFLAGS = -O2 -fPIC -ftree-vectorize --heap-arrays
FFLAGS = -g -O1 -fPIC #-heap-arrays 64

AR = ar
RANLIB = ranlib

SYS = nag

SP_KIND = 4
DP_KIND = 8
KINDS = $(SP_KIND) $(DP_KIND)

LDFLAGS =

COMP_LIBS = libsiestaLAPACK.a libsiestaBLAS.a

#FPPFLAGS = $(DEFS_PREFIX)-DFC_HAVE_ABORT
FPPFLAGS = -DMPI -DFC_HAVE_FLUSH $(DEFS_PREFIX) -DFC_HAVE_ABORT

LIBS = -L/apps/intel/mkl/10.1.1.019/lib/em64t -lmkl_intel_lp64 -lmkl_lapack -lmkl_blacs_intelmpi_lp64 -lmkl_scalapack_lp64 -lmkl_gnu_thread -lmkl_core -lguide -lpthread -lgomp -lgfortran

MPI_INTERFACE=libmpi_f90.a
MPI_INCLUDE=.

# Dependency rules ---------

FFLAGS_DEBUG = -g -O1 # your appropriate flags here...
#FFLAGS_DEBUG =

# The atom.f code is very vulnerable. Particularly the Intel compiler
# will make an erroneous compilation of atom.f with high optimization
# levels.
atom.o: atom.F
      $(FC) -c $(FFLAGS_DEBUG) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $<

.c.o:
      $(CC) -c $(CFLAGS) $(INCFLAGS) $(CPPFLAGS) $<
.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)  $<

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