[Wien] Problems with installation of Wien2k 19.1

[Israel Omar Perez Lopez]

Dear mailing list


I have been trying to upgrade from wien2k 17.1 to 19.1. Before I had gfortran 5.4 and libxc 4.1.1 and wien2k 17.1 ran fine in linux mint 18.1. So I upgraded to gfortran-9 and to libxc-4.3.4. I also installed intel compiler parallel studio 2019, and downloaded wien2k 19.1 last saturday. I first compiled the libxc with ifort and compilation went well. But when I compiled wien2k 19.1, I got a bunch of errors related to libxc such as:


ifort -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I/home/israelperez/intel/compilers_and_libraries_2019.2.187/linux/mkl/include -DLIBXC -I/opt/libxc/include   -qopenmp -c inputpars.F
inputpars.F(6): error #7013: This module file was not generated by any release of this compiler.   [XC_F03_LIB_M]
      use xc_f03_lib_m
----------^
inputpars.F(17): error #6457: This derived type name has not been declared.   [XC_F03_FUNC_T]
      TYPE(xc_f03_func_t) :: xc_func

All of them appear in the inputpars.F file.

The same errors show up if I compile both the libxc libraries and wien2k 19.1 with gfortran.

So I decided to try installing wien2k 18.2 which runs well in another computer compiled with gfortran. If I compiled wien2k 18.2 with gfortran no errors are generated and it runs fine, but if I compile it with intel compiler, the same error as in wien2k 19.1 shows up.

Any idea, what could be the problem?

Thanks



Dr. Israel Pérez

Institute of Engineering and Technology
Department of Physics and Mathematics,
Universidad Autónoma de Ciudad Juárez
Av. del Charro 450 Nte., Col. Partido Romero,
Ciudad Juárez, Juarez Chihuahua. Mexico C. P. 32310
Tel: +52 (656) 688 4887

National Council of Science and Technology
Insurgentes Sur No. 1582,
Col. Crédito Constructor,  C.P. 03940
Del. Benito Juárez, México D. F.
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