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

[@youssefouhti4922]

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.

[@sharmavrittu]

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

[@TheMrexeptional]

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]

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

[@OmPrakash01]

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

[@rupeshtiwari8092]

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