当前位置: 首页 > 工具软件 > siesta > 使用案例 >

siesta在Linux运行,并行版的SIESTA不能运行

单于俊智
2023-12-01

编译能通过,但运行老是报错

mpirun noticed that process rank 34 with PID 24030 on node fn043 exited on signal 11

连tests里面的si64都报错,所以我觉得不是简单的内存问题。

下面是我的make文件,请高手指教一下出了什么问题?是ldau版的

.SUFFIXES:

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

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

FPP=

FPP_OUTPUT=

FC=/home-fn/compiler/mpi/openmpi-1.4.4-pgi/bin/mpif90

RANLIB=ranlib

SYS=nag

SP_KIND=4

DP_KIND=8

KINDS=$(SP_KIND) $(DP_KIND)

FFLAGS=-g -assume byterecl -heap-arrays 64

FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT

LDFLAGS=

ARFLAGS_EXTRA=

FCFLAGS_fixed_f=

FCFLAGS_free_f90=

FPPFLAGS_fixed_F=

FPPFLAGS_free_F90=

BLAS_LIBS=-L/home-fn/compiler/intel/mk/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_cdft_core -lmkl_intel_ilp64 -l

mkl_core -lmkl_sequential -lmkl_blacs_intelmpi_ilp64 -lpthread -lm

LAPACK_LIBS=-L/home-fn/compiler/intel/mk/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_cdft_core -lmkl_intel_ilp64

-lmkl_core -lmkl_sequential -lmkl_blacs_intelmpi_ilp64 -lpthread -lm

BLACS_LIBS=-L/home-fn/compiler/intel/mkl/lib/intel64 -lmkl_blacs_intelmpi_ilp64 -lmkl_intel_ilp64 -lmkl_core

-lmkl_sequential -lpthread -lm

SCALAPACK_LIBS=-L/home-fn/compiler/intel/mkl/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_core -

lmkl_sequential -lpthread -lm

COMP_LIBS=dc_lapack.a liblapack.a libblas.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=/home-fn/compiler/mpi/openmpi-1.4.4-pgi/include

DEFS_MPI = -DMPI

#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)  $<

 类似资料: