<!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;">Dear Paolo,<br><br>Thank you very much for the advice. Compilation went smooth after the istallation of m4.<br><br><strong>Everybody, please read</strong> <a target="_blank" rel="noopener noreferrer" href="https://gitlab.com/QEF/q-e/-/wikis/home">https://gitlab.com/QEF/q-e/-/wikis/home</a> <strong>before comiling QE, you will<br>probably save a lot of time.</strong><br><br>Thank you, Best regards.<br><br>Chamara<br><br>November 20, 2022 10:27 PM, "Paolo Giannozzi" <<a target="_blank" rel="noopener noreferrer" href="mailto:paolo.giannozzi@uniud.it">paolo.giannozzi@uniud.it</a>> wrote:<br> <blockquote>It's explained here: <a target="_blank" rel="noopener noreferrer" href="https://gitlab.com/QEF/q-e/-/wikis/home">https://gitlab.com/QEF/q-e/-/wikis/home</a><br>but since nobody seems to read that page, let me issue a<br>NOTICE TO EVERYBODY:<br>IN ORDER TO COMPILE QE v.7.1, THE "m4" UTILITY IS NEEDED<br><br>Paolo<br><br>On 20/11/2022 12:04, <a target="_blank" rel="noopener noreferrer" href="mailto:chamaran@uom.lk">chamaran@uom.lk</a> wrote:<br> <blockquote>You don't often get email from <a target="_blank" rel="noopener noreferrer" href="mailto:chamaran@uom.lk">chamaran@uom.lk</a>. Learn why this is > important<br><<a target="_blank" rel="noopener noreferrer" href="https://aka.ms/LearnAboutSenderIdentification">https://aka.ms/LearnAboutSenderIdentification</a>><br><br>Hello everyone,<br>I tried to compile Quantum ESPRESSO using the Intel compilers and the > MKL libraries. But it went<br>sideways with an error as follows,<br>/home/chamara/qe-7.1//UtilXlib -I/home/chamara/qe-7.1//MBD > -I/home/chamara/qe-7.1//KS_Solvers<br>-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<br>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.<br>[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.<br>[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.<br>[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.<br>[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.<br>[SETUP_IO]<br>call setup_io()<br>--------------^<br>fox_init_module.f90(18): error #6406: Conflicting attributes or multiple > declaration of name.<br>[IO_ERR]<br>errcodes(1) = io_err<br>-----------------------^<br>fox_init_module.f90(19): error #6406: Conflicting attributes or multiple > declaration of name.<br>[IO_EOR]<br>errcodes(2) = io_eor<br>-----------------------^<br>fox_init_module.f90(20): error #6406: Conflicting attributes or multiple > declaration of name.<br>[IO_EOF]<br>errcodes(3) = io_eof<br>-----------------------^<br>fox_init_module.f90(24): error #6406: Conflicting attributes or multiple > declaration of name.<br>[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/<br>What I did was as follows,<br>1. Started with a fresh Ubuntu distro in windows 10 wsl.<br>2. Download and install the Intel oneAPI Base and HCP toolkits.<br>3. source the setvars.sh script by Intel to set the environment variables.<br>4. Extract the Quantum ESPRESSO 7.1 source code.<br>5. Custom configure QE by executing the configure file (./configure<br>MPIF90=mpiifort CC=mpiicc F90=ifort F77=mpiifort -enable-parallel).<br>6. Edit the make.inc by setting the "BLAS_LIBS=", "LAPACK_LIBS=",<br>"SCALAPACK_LIBS=", and "FFT_LIBS=" to "-L${MKLROOT}/lib/intel64<br>-lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core<br>-lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl" as given by Intel link<br>line advisor.<br>7. Edit the make.inc by setting the "MPI_LIBS=" to<br>"-L/opt/intel/oneapi/mpi/2021.7.1/lib -lmpi".<br>8. Compiling QE by make pw.<br>I can't figure out the problem here and would appreciate the view from > an expert on the matter. I<br>have attached the config.log as a separate files.<br>Thank you, Best regards.<br>Chamara Somarathna,<br>Research scholar,<br>University of Moratuwa,<br>Sri Lanka.</blockquote> <br><br>_______________________________________________<blockquote>The Quantum ESPRESSO community stands by the Ukrainian<br>people and expresses its concerns about the devastating<br>effects that the Russian military offensive has on their<br>country and on the free and peaceful scientific, cultural,<br>and economic cooperation amongst peoples<br>_______________________________________________<br>Quantum ESPRESSO is supported by MaX (www.max-centre.eu)<br>users mailing list <a target="_blank" rel="noopener noreferrer" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a><br><a target="_blank" rel="noopener noreferrer" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a> </blockquote> <br><br>-- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216</blockquote> </div></body></html>