[Wien] WIen2k install using Oneapi

[Michael Fechtelkord]

I have the same problem with the oneapi online repositories using zypper 
(does not find the openmp libs). However, the offline installer using 
the installation script still works fine:


basekit:

https://www.intel.com/content/www/us/en/developer/tools/oneapi/base-toolkit-download.html?operatingsystem=linux&distributions=offline


hpckit:

https://www.intel.com/content/www/us/en/developer/tools/oneapi/hpc-toolkit-download.html?operatingsystem=linux&distributions=offline


Regards,

  Michael


Am 27.05.2024 um 22:53 schrieb Peter Blaha:
> Seems to be a problem with the most recent ONEAPI. The include path 
> for the compiler should be automatically set properly when you source 
> the compilervars.sh files.
>
> Try to define an additional include path:
>
>   O   Compiler options:        -O -FR -mpl -w -prec_div -pc80 -pad -ip 
> -DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include 
> -I$(IFORTROOT)/linux/compiler/include/intel64
>
>
> Please check, if in your oneapi the IFORTROOT variable is set and the 
> filestructure is still identical to mine.
>
> I do have a   omp_lib.mod   in the include path.
>
>
>
> Am 27.05.2024 um 20:19 schrieb 夏宇阳:
>> mstar.f90(57): error #7002: Error in opening the compiled module 
>> file.  Check INCLUDE paths. [OMP_LIB]
>> USE OMP_LIB
>> ----^
>>
>> sumpara.F(4): error #7002: Error in opening the compiled module 
>> file.  Check INCLUDE paths.   [OMP_LIB]
>>        use omp_lib
>> ----------^
>> sumpara.F(407): error #6363: The intrinsic data types of the 
>> arguments must be the same.   [MAX]
>>        BUFSIZE=MAX(NKKVL/OMP_GET_NUM_THREADS()+1, 1000)
>> -------------------------------------------------^
>> Three errors still exists in compile.msg.
>>
>> It seems that we need omp_lib.module. What is that? And how can we 
>> get it?
>>
>> Best wishes!
>> -- 
>
> -----------------------------------------------------------------------
> Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-158801165300
> Email: peter.blaha at tuwien.ac.at
> WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
> -------------------------------------------------------------------------
>
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-- 
Dr. Michael Fechtelkord

Institut für Geologie, Mineralogie und Geophysik
Ruhr-Universität Bochum
Universitätsstr. 150
D-44780 Bochum

Phone: +49 (234) 32-24380
Fax:  +49 (234) 32-04380
Email: Michael.Fechtelkord at ruhr-uni-bochum.de
Web Page: https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/