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pwascf,QE安装,(集群)天河

作者 NickyHCQ
来源: 小木虫 250 5 举报帖子
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在吕梁天河超算上,我下载了QE6.1,configure  显示success,找到了intel mkl等。 然后make   跑了一会后,就错误了make[2]: *** [pw.x] Error 1
make[2]: Leaving directory `/work/software/qe-6.1/PW/src'
make[1]: *** [pw] Error 1
make[1]: Leaving directory `/work/software/qe-6.1/PW'
make: *** [pw] Error 1

这个前面的一段见截图,  configure结果

pwascf,QE安装,(集群)天河
错误前.PNG 返回小木虫查看更多

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  • NickyHCQ

    The following libraries have been found:
      BLAS_LIBS=  -lmkl_intel_lp64  -lmkl_sequential -lmkl_core
      LAPACK_LIBS=
      SCALAPACK_LIBS=-lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64
      FFT_LIBS= -lfftw3
      
    Please check if this is what you expect.

    If any libraries are missing, you may specify a list of directories
    to search and retry, as follows:
      ./configure LIBDIRS="list of directories, separated by spaces"

    Parallel environment detected successfully.\
    Configured for compilation of parallel executables.

    For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).
    --------------------------------------------------------------------
    configure: success,

  • liqizuiyang

    天河用的是IntelMPI而不是openmpi, 把这行加入configure选项中:

    SCALAPACK_LIBS=-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64

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