Hi??Chamara
Please make sure that the fox folder is there. I got the same error if the fox
folder is missing .
Best
Jibiao Li
Department of Materials Science and Engineering
Yangtze Normal University
Juxian Avenue 16, Fuling, Chongqing, China 408100
Scopus Research ID: 54944118000
Web of Science Research ID: F-1905-2016
------------------ Original ------------------
From:
"Quantum ESPRESSO users Forum"
<[email protected]>;
Date: Sun, Nov 20, 2022 07:04 PM
To: "users"<[email protected]>;
Subject: [QE-users] ERROR: Compiling under Intel oneAPI
Hello everyone,
I tried to compile Quantum ESPRESSO using the Intel compilers and the MKL
libraries. But it went sideways with an error as follows,
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
fox_init_module.f90(6): error #7002: Error in opening the compiled module file.
Check INCLUDE paths. [M_COMMON_IO]
USE m_common_io, ONLY: setup_io, io_err, io_eor, io_eof
----^
fox_init_module.f90(6): error #6580: Name in only-list does not exist or is not
accessible. [SETUP_IO]
USE m_common_io, ONLY: setup_io, io_err, io_eor, io_eof
-----------------------^
fox_init_module.f90(6): error #6580: Name in only-list does not exist or is not
accessible. [IO_ERR]
USE m_common_io, ONLY: setup_io, io_err, io_eor, io_eof
---------------------------------^
fox_init_module.f90(6): error #6580: Name in only-list does not exist or is not
accessible. [IO_EOR]
USE m_common_io, ONLY: setup_io, io_err, io_eor, io_eof
-----------------------------------------^
fox_init_module.f90(6): error #6580: Name in only-list does not exist or is not
accessible. [IO_EOF]
USE m_common_io, ONLY: setup_io, io_err, io_eor, io_eof
-------------------------------------------------^
fox_init_module.f90(17): error #6406: Conflicting attributes or multiple
declaration of name. [SETUP_IO]
call setup_io()
--------------^
fox_init_module.f90(18): error #6406: Conflicting attributes or multiple
declaration of name. [IO_ERR]
errcodes(1) = io_err
-----------------------^
fox_init_module.f90(19): error #6406: Conflicting attributes or multiple
declaration of name. [IO_EOR]
errcodes(2) = io_eor
-----------------------^
fox_init_module.f90(20): error #6406: Conflicting attributes or multiple
declaration of name. [IO_EOF]
errcodes(3) = io_eof
-----------------------^
fox_init_module.f90(24): error #6406: Conflicting attributes or multiple
declaration of name. [SETUP_IO]
CALL setup_io(ERR_CODE = errcodes(1), EOR_CODE = errcodes(2), EOF_CODE =
errcodes(3))
-----------^
compilation aborted for fox_init_module.f90 (code 1)
make[1]: *** [../make.inc:16: fox_init_module.o] Error 1
make[1]: Leaving directory '/home/chamara/qe-7.1/Modules'
make: *** [Makefile:194: mods] Error 1
What I did was as follows,
Started with a fresh Ubuntu distro in windows 10 wsl.
Download and install the Intel oneAPI Base and HCP toolkits.
source the setvars.sh script by Intel to set the environment variables.
Extract the Quantum ESPRESSO 7.1 source code.
Custom configure QE by executing the configure file (./configure
MPIF90=mpiifort CC=mpiicc F90=ifort F77=mpiifort -enable-parallel).
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.
Edit the make.inc by setting the "MPI_LIBS=" to
"-L/opt/intel/oneapi/mpi/2021.7.1/lib -lmpi".
Compiling QE by make pw.
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.
Thank you, Best regards.
Chamara Somarathna,
Research scholar,
University of Moratuwa,
Sri Lanka._______________________________________________
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