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Error when Compiling with Intel OneAPI #102

@LePingKYXK

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@LePingKYXK

Dear dftd4 developers,

I got a error when compiling the dftd4 with Intel OneAPI on CentOS 8.
The ifort and mkl were activated by using module load . The code is shown below.

[root@grape dftd4]# module list 
Currently Loaded Modulefiles:
 1) compiler-rt/2021.2.0   4) debugger/latest                                                             7) compiler/latest  
 2) tbb/2021.2.0           5) dpl/latest                                                                 
 3) mkl/latest             6) /opt/intel/oneapi/compiler/2021.2.0/linux/lib/oclfpga/modulefiles/oclfpga  
[root@grape dftd4]#
[root@grape dftd4]# ifort -v
ifort version 2021.2.0
[root@grape dftd4]# 
[root@grape dftd4]# FC=ifort meson setup _build
The Meson build system
Version: 0.53.2
Source dir: /opt/dftd4
Build dir: /opt/dftd4/_build
Build type: native build
Project name: dftd4
Project version: 3.2.0
Fortran compiler for the host machine: ifort (intel unknown version "ifort (IFORT) 2021.2.0 20210228")
Fortran linker for the host machine: ifort ld.bfd 2.30-79
Host machine cpu family: x86_64
Host machine cpu: x86_64
C compiler for the host machine: cc (gcc 8.3.1 "cc (GCC) 8.3.1 20191121 (Red Hat 8.3.1-5)")
C linker for the host machine: cc ld.bfd 2.30-79
Run-time dependency OpenMP found: YES 4.5
Library mkl_intel_lp64 found: YES

config/meson.build:58:6: ERROR: Fortran library 'mkl_intel_thread' not found

A full log can be found at /opt/dftd4/_build/meson-logs/meson-log.txt
(base) [root@grape dftd4]#

There was an error reported as "ERROR: Fortran library 'mkl_intel_thread' not found". However, the above line showed that the mkl_intel_lp64 has found.

I have no idea about what is the different between these two mkl? Looking forward to your suggestions.
Thanks a lot.

Huan

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