<!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;">Thanks for your reply Jibiao,<br>The FoX folder is created on the QE home folder after a smooth compilation, but in my case compilation stops in the middle of nowhere. As Paolo pointed out, it require m4 to compile the FoX. That was my issue. <br><br>Thanks again for your reply.<br>Best Regards,<br><br>Chamara<br><br>November 20, 2022 4:46 PM, "Jibiao Li" <<a target="_blank" tabindex="-1" href="mailto:jibiaoli@foxmail.com?to=%22Jibiao%20Li%22%20<jibiaoli@foxmail.com>">jibiaoli@foxmail.com</a>> wrote:<br> <blockquote><div><div> <div> <font face="Arial" size="2">Hi，</font><span style="font-family: arial, sans-serif;font-size: 13px">Chamara</span> </div> <div></div> <div><font face="arial, sans-serif"><span style="font-size: 13px">Please make sure that the fox folder is there. I got the same error if the fox folder is missing .</span></font></div> <div></div> <div><font face="Arial" size="2">Best</font></div> <div> <hr align="left" style="margin: 0 0 10px 0;border: 0;border-bottom: 1px solid #E4E5E6;height: 0;line-height: 0;font-size: 0;padding: 20px 0 0 0;width: 50px"> <div style="font-size: 14px;font-family: Verdana;color: #000"> <p><font face="Arial" size="1">Jibiao Li</font></p> <p><font face="Arial" size="1">Department of Materials Science and Engineering</font></p> <p><font face="Arial" size="1">Yangtze Normal University</font></p> <p><font face="Arial" size="1">Juxian Avenue 16, Fuling, Chongqing, China 408100</font></p> <p><font face="Arial" size="1">Scopus Research ID: <a rel="external nofollow noopener noreferrer" target="_blank" tabindex="-1" href="https://www.scopus.com/authid/detail.uri?authorId=54944118000"><font face="Arial"><font face="Arial"><font face="Arial"><font face="Arial">54944118000</font></font></font></font></a></font></p> <p><font face="Arial" size="1">Web of Science Research ID: <span style="border: 1px none windowtext;padding: 0px"><a target="_blank" title="https://publons.com/researcher/2283103/jibiao-li/" style="" rel="external nofollow noopener noreferrer" tabindex="-1" href="https://publons.com/researcher/2283103/jibiao-li/">F-1905-2016</a></span></font></p> </div> </div> <div></div> <div style="position: relative"> <div></div> <div></div> <div style="font-size: 12px;font-family: Arial Narrow;padding: 2px 0 2px 0">------------------ Original ------------------</div> <div style="font-size: 12px;background: #efefef;padding: 8px"> <div> <b>From:</b> "Quantum ESPRESSO users Forum" <<a target="_blank" rel="noopener noreferrer" href="mailto:chamaran@uom.lk">chamaran@uom.lk</a>>;</div> <div> <b>Date:</b> Sun, Nov 20, 2022 07:04 PM</div> <div> <b>To:</b> "users"<<a target="_blank" rel="noopener noreferrer" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>>;<wbr></wbr> </div> <div></div> <div> <b>Subject:</b> [QE-users] ERROR: Compiling under Intel oneAPI</div> </div> <div></div> <div 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><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><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> </div> </div> </div></div></blockquote> <br><br><signature></signature> </div></body></html>