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生成完整的SCALAPACK

KML_SCALAPACK只包含了部分自研SCALAPACK接口,还需要SCALAPACK的其他接口才能运行。因此请自行获取开源的Netlib SCALAPACK v2.2.0的源代码包,并与KML_SCALAPACK适配,以得到全量的SCALAPACK接口。

操作步骤

  1. 下载Netlib SCALAPACK v2.2.0的源代码包。保存在编译机器可访问的路径中,假设位于“/data/Download/scalapack-2.2.0.tar.gz”

    源代码包获取路径:https://github.com/Reference-ScaLAPACK/scalapack/archive/refs/tags/v2.2.0.tar.gz

  2. 假设libkscalapack.a位于“/usr/local/kml/lib”,使用以下脚本编译原始的Netlib ScaLAPACK库。编译Netlib ScaLAPCK库需要LAPACK库,LAPACK库安装请参见生成完整的LAPACK,假设已安装的完整LAPACK库位于“/openlib/lapack_adapt”,KBLAS位于“/usr/local/kml/lib/kblas/omp”,将MPI添加到环境变量后,使用以下脚本可以在当前目录的scalapack_adapt子目录下生成适配的libscalapack_adapt.a。
    set -eE
     
    echo "SCALAPACK_TGZ          ${SCALAPACK_TGZ:=/data/Download/scalapack-2.2.0.tar.gz}"
    echo "LIBKSCALAPACK_A        ${LIBKSCALAPACK_A:=/usr/local/kml/lib/libkscalapack.a}"
    echo "LIBKSERVICE_A          ${LIBKSERVICE_A:=/usr/local/kml/lib/libkservice.a}"
    echo "ADAPT_DIR              ${ADAPT_DIR:=./scalapack_adapt}"
    echo "CMAKE_BUILD_TYPE       ${CMAKE_BUILD_TYPE:=Release}"
    echo "LIBSCALAPACK_ADAPT_A   ${LIBSCALAPACK_ADAPT_A:=libscalapack_adapt.a}"
    echo "LIBKSCALAPACK_FULL_SO  ${LIBKSCALAPACK_FULL_SO:=libkscalapack_full.so}"
    echo "MPICC                  ${MPICC:=mpicc}"
    echo "MPIFC                  ${MPIFC:=mpifort}"
    echo "LAPACK_SO              ${LAPACK_SO:=/DONT_CARE_OR/openlib/lapack_adapt/libklapack_full.so}"
    echo "BLAS_SO                ${BLAS_SO:=/DONT_CARE_OR/usr/local/kml/lib/kblas/omp/libkblas.so}"
     
    case $(${MPIFC} -std=legacy - </dev/null 2>&1) in
        *standard*input) export FFLAGS="$FFLAGS -std=legacy" ;;
    esac
     
    case $(${MPICC} -Wno-implicit-function-declaration - </dev/null 2>&1) in
        *standard*input) export CFLAGS="$CFLAGS -Wno-implicit-function-declaration" ;;
    esac
     
    mkdir ${ADAPT_DIR}
    cd ${ADAPT_DIR}
     
    # build netlib scalapack
    mkdir netlib
    cd netlib
    tar xzpf ${SCALAPACK_TGZ}
    mkdir build
    cd build
    cmake_flags=(
        -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
        -DCMAKE_POSITION_INDEPENDENT_CODE=ON
        -DCMAKE_C_COMPILER=${MPICC}
        -DCMAKE_Fortran_COMPILER=${MPIFC}
        -DLAPACK_LIBRARIES=${LAPACK_SO}
        -DBLAS_LIBRARIES=${BLAS_SO}
        -DLAPACK_FOUND=true
        -DCMAKE_RULE_MESSAGES=off
        -DCMAKE_VERBOSE_MAKEFILE=no
        -DSCALAPACK_BUILD_TESTS=off
    )
    cmake ${cmake_flags[*]} ../scalapack-2.2.0
    make -j
    cd ../..
     
    cp netlib/build/lib/libscalapack.a ${LIBSCALAPACK_ADAPT_A}
     
    # get symbols defined both in kscalapack and netlib scalapack
    nm -g ${LIBSCALAPACK_ADAPT_A} | grep 'T ' | grep -oP '\K\w+(?=_$)' | sort | uniq > netlib.sym
    nm -g ${LIBKSCALAPACK_A} | grep 'T ' | grep -oP '\K\w+(?=_$)' | sort | uniq > kscalapack.sym
    comm -12 kscalapack.sym netlib.sym > comm.sym
     
    # update symbols name of ${LIBSCALAPACK_ADAPT_A}
    while read sym; do
        (
            if ! nm ${LIBSCALAPACK_ADAPT_A} | grep -qe " T ${sym}_\$"; then
                continue
            fi
            ar x ${LIBSCALAPACK_ADAPT_A} ${sym}.f.o
            mv ${sym}.f.o ${sym}_netlib.f.o
            objcopy --redefine-sym ${sym}_=${sym}_netlib_ ${sym}_netlib.f.o
        ) &
    done < comm.sym
    wait
    ar d ${LIBSCALAPACK_ADAPT_A} $(sed -ne 's/$/.f.o/p' comm.sym)
    ar ru ${LIBSCALAPACK_ADAPT_A} *_netlib.f.o
    rm *_netlib.f.o
  3. (可选)生成完整功能的单一KML_SCALAPACK动态库。

    某些应用场景可能只允许链接单个SCALAPACK动态链接库,此时可采用以下方法将上一节生成的libscalapack_adapt.a和libkscalapack.a合成单一的libkscalapack_full.so。

    假设KML_SCALAPACK库为“/usr/local/kml/lib/libkscalapack.a”,适配后的Netlib ScaLAPACK库为当前目录下的libscalapack_adapt.a。
    ${MPIFC} -o ${LIBKSCALAPACK_FULL_SO} -shared -fPIC -Wl,--whole-archive ${LIBKSCALAPACK_A} ${LIBSCALAPACK_ADAPT_A} -Wl,--no-whole-archive ${LIBKSERVICE_A} -fopenmp -lpthread -lm
    执行完成后当前目录下会生成libkscalapack_full.so,可以单独链接此so得到SCALAPACK v2.2.0的全部接口功能。

    此时仍然需要单独链接KML_BLAS库、KML_LAPACK库、KML_SERVICE库以及libgfortran、libm等系统库。

安装后验证

假设KML_BLAS已构建的库(libkblas.a和libkblas.so)位于KML_BLAS_ROOT中,KML_LAPACK位于KML_LAPACK_ROOT中。当使用KML_BLAS时,仍然需要上一节最后获得Netlib SCALAPACK适配的libscalapack_adapt.a,但不再需要Netlib SCALAPACK中的libblas.a。

使用时,假设环境变量KML_SCALAPACK_ROOT为libkscalapack.*所在目录,ADAPT_ROOT为适配后Netlib SCALAPACK库所在目录。用户应用可以选择使用动态链接库或静态链接库。

编译应用源代码时需要链接到KML_SCALAPACK、Netlib SCALAPACK、KML_LAPACK、Netlib LAPACK、Netlib BLAS和gfortran库并开启OpenMP支持。

选项一、协同KML_BLAS和KML_LAPACK场景(高性能)

  • 使用动态链接库

    此场景下由于适配的Netlib SCALAPACK只有静态库libscalapack_adapt.a,因此总是静态链接到此库。

    gcc app.c -o app -fopenmp -I $KML_LAPACK_ROOT/include/kml-0.3.0 -L /usr/local/kml/lib/ -lkscalapack -L $ADAPT_ROOT -l:libscalapack_adapt.a -L $KML_BLAS_ROOT -lkblas $KML_LAPACK_ROOT -lklapack -lgfortran -lm -lkservice

    运行时需能找到KML_SCALAPACK所需的这些动态链接库,或者将/usr/local/kml/lib和$KML_BLAS_ROOT、$KML_LAPACK_ROOT加入LD_LIBRARY_PATH。

    export LD_LIBRARY_PATH=/usr/local/kml/lib:$KML_BLAS_ROOT:$KML_LAPACK_ROOT:$LD_LIBRARY_PATH
  • 使用静态链接库

    此场景不再需要链接Netlib LAPACK的libblas.a。

    gcc app.c -o app -fopenmp -I $KML_LAPACK_ROOT/include/kml-0.3.0 -L /usr/local/kml/lib/lib -l:libkscalapack.a -L $ADAPT_ROOT -l:libscalapack_adapt.a -L $KML_BLAS_ROOT -l:libkblas.a $KML_LAPACK_ROOT -l:klapack.a -l:libkservice.a -l:libgfortran.a -lm

选项二、无KML_BLAS和KML_LAPACK场景(依赖Netlib LAPACK以及自带的BLAS,性能较低)

  • 使用动态链接库
    gcc app.c -o app -fopenmp -I $KML_LAPACK_ROOT/include/kml-0.3.0 -L /usr/local/kml/lib -lkscalapack -L $ADAPT_ROOT -l:libscalapack_adapt.a -lblas -llapack -lgfortran -lm -lkservice

    运行时需能找到KML_LAPACK所需的这些动态链接库,或者将/usr/local/kml/lib和$ADAPT_ROOT加入LD_LIBRARY_PATH。

    export LD_LIBRARY_PATH=/usr/local/kml/lib:$ADAPT_ROOT:$LD_LIBRARY_PATH
  • 使用静态链接库
    gcc app.c -o app -fopenmp -I $KML_LAPACK_ROOT/include/kml-0.3.0 -L /usr/local/kml/lib -l:libkscalapack.a -L $ADAPT_ROOT -l:libscalapack_adapt.a -l:libblas.a -l:liblapack.a -l:libkservice.a -l:libgfortran.a -lm
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