wien2k tutorial 1: compilation (parallel&serial, Ubuntu, Intel compilers/MKL/MPI) and server setup

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  • เผยแพร่เมื่อ 26 ม.ค. 2025

ความคิดเห็น • 6

  • @sharmavrittu
    @sharmavrittu 3 ปีที่แล้ว +1

    can you please make a tutorial to install wien2k with intel oneapi toolkit intel compiler

  • @youssefouhti4922
    @youssefouhti4922 4 ปีที่แล้ว +1

    Hello, i am trying to install the thermo_pw and ElaStic packages in quantum espresso version 6.4 but I find a lot of errors.
    If you have an idea or a video that explains how to install these packages.

  • @TheMrexeptional
    @TheMrexeptional 4 ปีที่แล้ว

    During the compilation of lapw0, I am getting an error saying,
    ld: cannot find ~/intel/compilers_and_libraries_2019.4.243/linux/mkl/lib/intel64: File format not recognized
    Makefile:131: recipe for target 'lapw0' failed
    make[1]: *** [lapw0] Error 1
    make[1]: Leaving directory '~/Wien2k/SRC_lapw0'
    Makefile:120: recipe for target 'seq' failed
    make: *** [seq] Error 2
    make: *** No rule to make target 'complex'. Stop.
    Please guide me through this.

  • @JuanMorinson
    @JuanMorinson 4 ปีที่แล้ว

    Excellent! Does anyone know how to use SCAN with Quantum Espresso? Thanks!

  • @OmPrakash01
    @OmPrakash01 4 ปีที่แล้ว

    Can you please do a Wien2k installation tutorial on Mac? thank you!

  • @rupeshtiwari8092
    @rupeshtiwari8092 2 ปีที่แล้ว

    After the compilation of Wien2k using the Intel Fortran compiler, could anyone please assist us with the following issues?
    SRC_lapw0/compile.msg:libxc_mod.F(4): error #7013: This module file was not generated by any
    release of this compiler. [XC_F03_LIB_M]
    SRC_lapw0/compile.msg:libxc_mod.F(9): error #6457: This derived type name has not been declared.
    [XC_F03_FUNC_T]
    SRC_lapw0/compile.msg:libxc_mod.F(10): error #6457: This derived type name has not been declared.
    [XC_F03_FUNC_INFO_T]
    SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does not exist or is not
    accessible. [XCCONST]
    SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does not exist or is not
    accessible. [VX_SWITCH]
    SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does not exist or is not
    accessible. [VC_SWITCH]
    SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does not exist or is not
    accessible. [EX_SWITCH]
    SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does not exist or is not
    accessible. [EC_SWITCH]
    SRC_lapw0/compile.msg:libxc_mod.F(22): error #6404: This name does not have a type, and must have
    an explicit type. [XC_FUNC_X]
    SRC_lapw0/compile.msg:libxc_mod.F(22): error #6404: This name does not have a type, and must have
    an explicit type. [XC_UNPOLARIZED]
    SRC_lapw0/compile.msg:libxc_mod.F(23): error #6404: This name does not have a type, and must have
    an explicit type. [XC_FUNC_C]
    SRC_lapw0/compile.msg:libxc_mod.F(25): error #6404: This name does not have a type, and must have
    an explicit type. [XC_POLARIZED]
    SRC_lapw0/compile.msg:libxc_mod.F(34): error #6404: This name does not have a type, and must have
    an explicit type. [XCCONST]
    SRC_lapw0/compile.msg:libxc_mod.F(38): error #6404: This name does not have a type, and must have
    an explicit type. [XC_INFO_C]
    SRC_lapw0/compile.msg:libxc_mod.F(38): error #6404: This name does not have a type, and must have
    an explicit type. [XC_F03_FUNC_GET_INFO]
    SRC_lapw0/compile.msg:libxc_mod.F(39): error #6404: This name does not have a type, and must have
    an explicit type. [XC_INFO_X]
    SRC_lapw0/compile.msg:libxc_mod.F(40): error #6404: This name does not have a type, and must have
    an explicit type. [XC_F03_FUNC_INFO_GET_FLAGS]
    SRC_lapw0/compile.msg:libxc_mod.F(56): error #6404: This name does not have a type, and must have
    an explicit type. [VC_SWITCH]
    SRC_lapw0/compile.msg:libxc_mod.F(56): error #6404: This name does not have a type, and must have
    an explicit type. [EC_SWITCH]
    SRC_lapw0/compile.msg:libxc_mod.F(57): error #6404: This name does not have a type, and must have
    an explicit type. [VX_SWITCH]
    SRC_lapw0/compile.msg:libxc_mod.F(57): error #6404: This name does not have a type, and must have
    an explicit type. [EX_SWITCH]
    SRC_lapw0/compile.msg:make[1]: *** [Makefile:171: libxc_mod.o] Error 1
    SRC_lapw0/compile.msg:make: *** [Makefile:120: seq] Error 2