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【答案】应助回帖
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Alpha s: 金币+50, ★★★很有帮助 2016-08-15 10:06:50
蛋蛋小童鞋: 金币+2, 谢谢参与，鼓励积极回答问题者 2016-08-15 10:15:56
不太清楚你的计算机上的编译环境，比如用的是什么版本的fortran编译器，并行环境等等，arch.make看不出什么问题来，另外，你可以在终端中使用 gedit ~/.bashrc打开.bashrc文件，在文件中加入 ulimit -c unlimited以及ulimit -s umlimited 试试
下面是我的arch.make,你可以参考一下，重点是你要修改库文件以适合你自己电脑上的所安装的库
#
# This file is part of the SIESTA package.
#
# Copyright (c) Fundacion General Universidad Autonoma de Madrid:
# E.Artacho, J.Gale, A.Garcia, J.Junquera, P.Ordejon, D.Sanchez-Portal
# and J.M.Soler, 1996- .
#
# Use of this software constitutes agreement with the full conditions
# given in the SIESTA license, as signed by all legitimate users.
#
.SUFFIXES:
.SUFFIXES: .f .F .o .a .f90 .F90
SIESTA_ARCH=x86_64-unknown-linux-gnu--unknown
FPP=
FPP_OUTPUT=
FC=mpif90
RANLIB=ranlib
SYS=nag
SP_KIND=4
DP_KIND=8
KINDS=$(SP_KIND) $(DP_KIND)
FFLAGS=-g -O2
FPPFLAGS= -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DMPI
LDFLAGS=
ARFLAGS_EXTRA=
FCFLAGS_fixed_f=
FCFLAGS_free_f90=
FPPFLAGS_fixed_F=
FPPFLAGS_free_F90=
BLAS_LIBS=-L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -lmkl_blas95_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
LAPACK_LIBS=-L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -lmkl_lapack95_lp64 -lmkl_sequential -lmkl_core
BLACS_LIBS=-L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -lmkl_blacs_openmpi_lp64 #-pthread
SCALAPACK_LIBS=-L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -lmkl_scalapack_lp64 #-pthread
COMP_LIBS=dc_lapack.a
NETCDF_LIBS=
NETCDF_INTERFACE=
LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_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=/opt/openmpi-1.10.1/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) $< |
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