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Quantum ESPRESSO compilation with mpiifx and mpiicx error

Salekin
Beginner
1,104 Views

Hi!

Last one week I am stuck with same issue. I tried both oneAPI 2024 and intel parallel studio XE 2020, and got the same error.

Suggested path for blas and lapack MKL link adviser:

-L${MKLROOT}/lib -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl

I will be grateful if anyone see the log file and suggest the correction I need. I would like to mention here that I compiled QE with GNU compiler, and it is working without any error.

 

Regards,

Salekin

 

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Ron_Green
Moderator
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does the file 

ifx: error #10236: File not found: '/home/salekin/qe-6.8_intel//MBD/libmbd.a'

exist? 

Was it compiled with Intel Fortran or gfortran?  Perhaps it was a leftover from a previous gfortran build.  Check the timestamps of the .a file, and run the command 'strings' on it and look for clues as to which compiler was used:

 

strings  /home/salekin/qe-6.8_intel//MBD/libmbd.a   |&   grep intel

 

you could try the link with ifx instead of mpiifx.  cd to the correct dir and 

ifx  -o pw.x \

   pwscf.o  libpw.a ../../Modules/libqemod.a ../../KS_Solvers/libks_solvers.a ../../upflib/libupf.a ../../XClib/xc_lib.a ../../FFTXlib/libqefft.a ../../LAXlib/libqela.a ../../UtilXlib/libutil.a ../../dft-d3/libdftd3qe.a /home/salekin/qe-6.8_intel//clib/clib.a /home/salekin/qe-6.8_intel//MBD/libmbd.a  -L/home/salekin/qe-6.8_intel//external/devxlib/src -ldevXlib -L/opt/intel/oneapi/mkl/2024.2/lib -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl -L/opt/intel/oneapi/mkl/2024.2/lib -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl -L/home/salekin/qe-6.8_intel//FoX/lib  -lFoX_dom -lFoX_sax -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys  -L/opt/intel/oneapi/mkl/2024.2/lib -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl -L/opt/intel/oneapi/mkl/2024.2/lib -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl    

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