<!DOCTYPE html><html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8" /></head><body><div data-html-editor-font-wrapper="true" style="font-family: arial, sans-serif; font-size: 13px;">Hello everyone,<br><br>I tried to compile Quantum ESPRESSO using the Intel compilers and the MKL libraries. But it went sideways with an error as follows,<br><br><em>home/chamara/qe-7.1//UtilXlib -I/home/chamara/qe-7.1//MBD -I/home/chamara/qe-7.1//KS_Solvers -I/home/chamara/qe-7.1//FoX/finclude -c fox_init_module.f90<br>fox_init_module.f90(6): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [M_COMMON_IO]<br>USE m_common_io, ONLY: setup_io, io_err, io_eor, io_eof<br>----^<br>fox_init_module.f90(6): error #6580: Name in only-list does not exist or is not accessible. [SETUP_IO]<br>USE m_common_io, ONLY: setup_io, io_err, io_eor, io_eof<br>-----------------------^<br>fox_init_module.f90(6): error #6580: Name in only-list does not exist or is not accessible. [IO_ERR]<br>USE m_common_io, ONLY: setup_io, io_err, io_eor, io_eof<br>---------------------------------^<br>fox_init_module.f90(6): error #6580: Name in only-list does not exist or is not accessible. [IO_EOR]<br>USE m_common_io, ONLY: setup_io, io_err, io_eor, io_eof<br>-----------------------------------------^<br>fox_init_module.f90(6): error #6580: Name in only-list does not exist or is not accessible. [IO_EOF]<br>USE m_common_io, ONLY: setup_io, io_err, io_eor, io_eof<br>-------------------------------------------------^<br>fox_init_module.f90(17): error #6406: Conflicting attributes or multiple declaration of name. [SETUP_IO]<br> call setup_io()<br>--------------^<br>fox_init_module.f90(18): error #6406: Conflicting attributes or multiple declaration of name. [IO_ERR]<br> errcodes(1) = io_err<br>-----------------------^<br>fox_init_module.f90(19): error #6406: Conflicting attributes or multiple declaration of name. [IO_EOR]<br> errcodes(2) = io_eor<br>-----------------------^<br>fox_init_module.f90(20): error #6406: Conflicting attributes or multiple declaration of name. [IO_EOF]<br> errcodes(3) = io_eof<br>-----------------------^<br>fox_init_module.f90(24): error #6406: Conflicting attributes or multiple declaration of name. [SETUP_IO]<br> CALL setup_io(ERR_CODE = errcodes(1), EOR_CODE = errcodes(2), EOF_CODE = errcodes(3))<br>-----------^<br>compilation aborted for fox_init_module.f90 (code 1)<br>make[1]: *** [../make.inc:16: fox_init_module.o] Error 1<br>make[1]: Leaving directory '/home/chamara/qe-7.1/Modules'<br>make: *** [Makefile:194: mods] Error 1</em><br> <p>What I did was as follows,</p> <ol> <li>Started with a fresh Ubuntu distro in windows 10 wsl.</li> <li>Download and install the Intel oneAPI Base and HCP toolkits.</li> <li>source the setvars.sh script by Intel to set the environment variables.</li> <li>Extract the Quantum ESPRESSO 7.1 source code.</li> <li>Custom configure QE by executing the configure file (./configure MPIF90=mpiifort CC=mpiicc F90=ifort F77=mpiifort -enable-parallel).</li> <li>Edit the make.inc by setting the "BLAS_LIBS=", "LAPACK_LIBS=", "SCALAPACK_LIBS=", and "FFT_LIBS=" to "-L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl" as given by Intel link line advisor.</li> <li>Edit the make.inc by setting the "MPI_LIBS=" to "-L/opt/intel/oneapi/mpi/2021.<wbr></wbr>7.1/lib -lmpi".</li> <li>Compiling QE by make pw.</li> </ol> <p>I can't figure out the problem here and would appreciate the view from an expert on the matter. I have attached the config.log as a separate files.<br><br>Thank you, Best regards.<br><br>Chamara Somarathna,<br>Research scholar,<br>University of Moratuwa,<br>Sri Lanka.</p> <br><signature></signature> </div></body></html>