使用 Arpack+Intel MKL 解决 Arnoldi 问题失败

问题描述

我编译了 Arpack-ng 3.8.0 + Intel MKL(ver. 2020.0.166)，所有构建和检查正常。当我构建一个来自 Arpackpp 的示例时，它总是报告错误 Arpack error in Eupp 并且无法解决给定的 Arnoldi 问题。

Arpack 构建配置：

configure:30261: result:
--------------------------------------------------
Configuration summary for ARPACK-NG 3.8.0
--------------------------------------------------
Installation prefix : /meda_home/roderick/tools/arpack
MPI enabled         : no
ICB enabled         : yes
INTERFACE64         : 1
F77                 : /meda_home/toolchain/tool/gnu/5.4.0/bin/gfortran
FFLAGS              : -DMKL_ILP64 -I/meda_home/toolchain/library/mkl/2020.0.166/include -fdefault-integer-8
FC                  : /meda_home/toolchain/tool/gnu/5.4.0/bin/gfortran
FCFLAGS             : -DMKL_ILP64 -I/meda_home/toolchain/library/mkl/2020.0.166/include -fdefault-integer-8
CC                  : /meda_home/toolchain/tool/gnu/5.4.0/bin/gcc
CFLAGS              : -g -O2
CXX                 : /meda_home/toolchain/tool/gnu/5.4.0/bin/g++ -std=gnu++11
CXXFLAGS            : -g -O2
CPPFLAGS            : 
MPI_Fortran_LIBS    : 
MPI_C_LIBS          : 
MPI_CXX_LIBS        : 
BLAS                : -lmkl_gf_ilp64
LAPACK              : -lmkl_gf_ilp64
EIGEN               : -I/meda_home/toolchain/library/eigen/3.3.7/include/eigen3
LIBS                : -Wl,--no-as-needed -L/meda_home/toolchain/library/mkl/2020.0.166/lib/intel64_lin -lmkl_sequential -lmkl_core -lpthread -lm -ldl -lgfortran
LDADD               : 
--------------------------------------------------
Configuration OK
--------------------------------------------------

全部检查，全部检查通过。

ldd libarpack.so 的结果：

linux-vdso.so.1 =>  (0x00007ffdeb156000)
libmkl_gf_ilp64.so => /meda_home/toolchain/library/mkl/2020.0.166/lib/intel64_lin/libmkl_gf_ilp64.so (0x00007f8315cf4000)
libmkl_sequential.so => /meda_home/toolchain/library/mkl/2020.0.166/lib/intel64_lin/libmkl_sequential.so (0x00007f83146dc000)
libmkl_core.so => /meda_home/toolchain/library/mkl/2020.0.166/lib/intel64_lin/libmkl_core.so (0x00007f83103bb000)
libpthread.so.0 => /lib64/libpthread.so.0 (0x00007f8310188000)
libdl.so.2 => /lib64/libdl.so.2 (0x00007f830ff84000)
libgfortran.so.3 => /meda_home/toolchain/tool/gnu/5.4.0/lib/../lib64/libgfortran.so.3 (0x00007f830fc62000)
libquadmath.so.0 => /meda_home/toolchain/tool/gnu/5.4.0/lib/../lib64/libquadmath.so.0 (0x00007f830fa23000)
libm.so.6 => /lib64/libm.so.6 (0x00007f830f721000)
libgcc_s.so.1 => /meda_home/toolchain/tool/gnu/5.4.0/lib/../lib64/libgcc_s.so.1 (0x00007f830f509000)
libc.so.6 => /lib64/libc.so.6 (0x00007f830f13b000)
/lib64/ld-linux-x86-64.so.2 (0x00005617e57cf000)

然后我创建了一个示例来测试 arpack+MKL（示例使用 arpack+lapack 运行正常）：

cmake_minimum_required(VERSION 3.1.0)
project(popkins)

include(/meda_home/toolchain/toolchain.cmake) # establish vars e.g. TOOLCHAIN_LIB_PATH

set(CMAKE_C_COMPILER "${GCC_BIN_DIR}/gcc")
set(CMAKE_CXX_COMPILER "${GCC_BIN_DIR}/g++")

set(CMAKE_CXX_STANDARD 11)
set(CMAKE_CXX_STANDARD_REQUIRED)

set(EXECUTABLE_OUTPUT_PATH ${CMAKE_SOURCE_DIR}/bin/)
set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${PROJECT_SOURCE_DIR}/libs)

# to specify MKL or LAPACK
set(ARPACK_NG "MKL")
#set(ARPACK_NG "LAPACK")

if(CMAKE_VERSION VERSION_LESS "3.7.0")
    set(CMAKE_INCLUDE_CURRENT_DIR ON)
endif()


set(CMAKE_CXX_FLAGS_RELEASE "-O2 -DNDEBUG")
set(CMAKE_CXX_FLAGS "-Wno-unused-local-typedefs -Werror -Wall -fPIC")
set(CMAKE_CXX_FLAGS_DEBUG "-Wno-unused-local-typedefs -Wall -g")

add_definitions(-DEIGEN_FFTW_DEFAULT)

# Begin: add for new toolchain
include_directories(SYSTEM ${EIGEN_INC_DIR})
include_directories(SYSTEM ${EIGEN_UNSUPPORTED_INC})
include_directories(SYSTEM /meda_home/roderick/temp/arpackpp-2.3.0/include)
include_directories(SYSTEM /meda_home/roderick/temp/arpackpp-2.3.0/examples/matprod)
include_directories(SYSTEM /meda_home/roderick/temp/arpackpp-2.3.0/examples/matprod/complex)
include_directories(SYSTEM /meda_home/roderick/temp/arpackpp-2.3.0/examples/reverse/complex)
include_directories(SYSTEM /meda_home/roderick/tools/arpack/include)
# End: add for new toolchain

# Begin: add for new toolchain
link_directories(/meda_home/roderick/tools/arpack/lib)  # arpack+mkl
#link_directories(/meda_home/roderick/tools/arpack_roy)  # arpack+lapack
link_directories(/meda_home/roderick/tools/usr/local/lib64)
link_directories(/meda_home/toolchain/tool/gnu/5.4.0/lib64)
# End: add for new toolchain

add_definitions(-DEIGEN_FFTW_DEFAULT)
link_libraries(
    #blas lapack
    gfortran
    arpack
)

if(${CMAKE_SYSTEM_PROCESSOR} STREQUAL "x86_64")
    add_definitions(-DEIGEN_USE_MKL_ALL)
    set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DMKL_ILP64 -m64")
    link_libraries(mkl_gf_ilp64 mkl_sequential mkl_core mkl_avx512 m dl pthread)
    include_directories(SYSTEM ${MKL_INC_DIR})
    link_directories(${MKL_LIB_DIR}/intel64)
endif()

add_subdirectory(src)

运行示例并解决失败：

Arpack error in Eupp.
-> Error in ARPACK Eupd fortran code.
Arpack error in FindEigenvectors.
-> Could not find any eigenvector.

我怀疑如何为 arpack+Intel MKL 配置构建？

我在英特尔社区发现的一个不同之处：Ohters 使用英特尔的 fortran 编译器 ifort 编译 arpack+MKL。但是我用的服务器没有ifort。

解决方法

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