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.
This file contains any messages produced by compilers while
running configure, to aid debugging if configure makes a mistake.
It was created by ESPRESSO configure 7.1, which was
generated by GNU Autoconf 2.69. Invocation command line was
$ ./install/configure MPIF90=mpiifort CC=mpiicc F90=ifort F77=mpiifort
-enable-parallel
## --------- ##
## Platform. ##
## --------- ##
hostname = DESKTOP-OO83HS8
uname -m = x86_64
uname -r = 5.10.102.1-microsoft-standard-WSL2
uname -s = Linux
uname -v = #1 SMP Wed Mar 2 00:30:59 UTC 2022
/usr/bin/uname -p = x86_64
/bin/uname -X = unknown
/bin/arch = x86_64
/usr/bin/arch -k = unknown
/usr/convex/getsysinfo = unknown
/usr/bin/hostinfo = unknown
/bin/machine = unknown
/usr/bin/oslevel = unknown
/bin/universe = unknown
PATH: /opt/intel/oneapi/vtune/2022.4.1/bin64
PATH: /opt/intel/oneapi/vpl/2022.2.5/bin
PATH: /opt/intel/oneapi/mpi/2021.7.1//libfabric/bin
PATH: /opt/intel/oneapi/mpi/2021.7.1//bin
PATH: /opt/intel/oneapi/mkl/2022.2.1/bin/intel64
PATH: /opt/intel/oneapi/itac/2021.7.1/bin
PATH: /opt/intel/oneapi/intelpython/latest/bin
PATH: /opt/intel/oneapi/intelpython/latest/condabin
PATH: /opt/intel/oneapi/inspector/2022.3.1/bin64
PATH: /opt/intel/oneapi/dpcpp-ct/2022.2.1/bin
PATH: /opt/intel/oneapi/dev-utilities/2021.7.1/bin
PATH: /opt/intel/oneapi/debugger/2021.7.1/gdb/intel64/bin
PATH: /opt/intel/oneapi/compiler/2022.2.1/linux/lib/oclfpga/bin
PATH: /opt/intel/oneapi/compiler/2022.2.1/linux/bin/intel64
PATH: /opt/intel/oneapi/compiler/2022.2.1/linux/bin
PATH: /opt/intel/oneapi/clck/2021.7.1/bin/intel64
PATH: /opt/intel/oneapi/advisor/2022.3.1/bin64
PATH: /usr/local/sbin
PATH: /usr/local/bin
PATH: /usr/sbin
PATH: /usr/bin
PATH: /sbin
PATH: /bin
PATH: /usr/games
PATH: /usr/local/games
PATH: /usr/lib/wsl/lib
PATH: /mnt/c/Windows/system32
PATH: /mnt/c/Windows
PATH: /mnt/c/Windows/System32/Wbem
PATH: /mnt/c/Windows/System32/WindowsPowerShell/v1.0
PATH: /mnt/c/Windows/System32/OpenSSH
PATH: /mnt/r/Soft/Xshell7
PATH: /mnt/r/Soft/MatLab R2018a/runtime/win64
PATH: /mnt/r/Soft/MatLab R2018a/bin
PATH: /mnt/c/Program Files (x86)/Wolfram Research/WolframScript
PATH: /mnt/c/Program Files/dotnet
PATH: /mnt/r/Soft/MinGW/bin
PATH: /mnt/c/Users/Chamara Somarathna/AppData/Local/Microsoft/WindowsApps
PATH: /mnt/c/Program Files/MPICH2/bin
PATH: /mnt/r/Soft/LAMMPS/LAMMPS 64-bit 29Oct2020/bin
PATH: /mnt/r/Soft/LAMMPS 64-bit 29Sep2021/bin
PATH: /snap/bin
## ----------- ##
## Core tests. ##
## ----------- ##
configure:2253: checking build system type
configure:2267: result: x86_64-pc-linux-gnu
configure:2291: checking ARCH
configure:2345: result: x86_64
configure:2365: checking setting AR...
configure:2371: result: ar
configure:2376: checking setting ARFLAGS...
configure:2382: result: ruv
configure:2460: checking for gfortran
configure:2490: result: no
configure:2460: checking for g95
configure:2490: result: no
configure:2460: checking for xlf95
configure:2490: result: no
configure:2460: checking for f95
configure:2490: result: no
configure:2460: checking for fort
configure:2490: result: no
configure:2460: checking for ifort
configure:2476: found
/opt/intel/oneapi/compiler/2022.2.1/linux/bin/intel64/ifort
configure:2487: result: ifort
configure:2513: checking for Fortran compiler version
configure:2522: ifort --version >&5
ifort (IFORT) 2021.7.1 20221019
Copyright (C) 1985-2022 Intel Corporation. All rights reserved.
configure:2533: $? = 0
configure:2522: ifort -v >&5
ifort version 2021.7.1
configure:2533: $? = 0
configure:2522: ifort -V >&5
Intel(R) Fortran Intel(R) 64 Compiler Classic for applications running on
Intel(R) 64, Version 2021.7.1 Build 20221019_000000
Copyright (C) 1985-2022 Intel Corporation. All rights reserved.
configure:2533: $? = 0
configure:2522: ifort -qversion >&5
ifort: command line warning #10006: ignoring unknown option '-qversion'
ifort: command line error: no files specified; for help type "ifort -help"
configure:2533: $? = 1
configure:2548: checking whether the Fortran compiler works
configure:2570: ifort conftest.f >&5
configure:2574: $? = 0
configure:2622: result: yes
configure:2625: checking for Fortran compiler default output file name
configure:2627: result: a.out
configure:2633: checking for suffix of executables
configure:2640: ifort -o conftest conftest.f >&5
configure:2644: $? = 0
configure:2666: result:
configure:2682: checking whether we are cross compiling
configure:2690: ifort -o conftest conftest.f >&5
configure:2694: $? = 0
configure:2701: ./conftest
configure:2705: $? = 0
configure:2720: result: no
configure:2725: checking for suffix of object files
configure:2741: ifort -c conftest.f >&5
configure:2745: $? = 0
configure:2766: result: o
configure:2774: checking whether we are using the GNU Fortran compiler
configure:2787: ifort -c conftest.F >&5
conftest.F(3): error #5082: Syntax error, found END-OF-STATEMENT when expecting
one of: ( : % [ . = =>
choke me
---------------^
conftest.F(3): error #6218: This statement is positioned incorrectly and/or has
syntax errors.
choke me
-------^
compilation aborted for conftest.F (code 1)
configure:2787: $? = 1
configure: failed program was:
| program main
| #ifndef __GNUC__
| choke me
| #endif
|
| end
configure:2796: result: no
configure:2802: checking whether ifort accepts -g
configure:2813: ifort -c -g conftest.f >&5
configure:2813: $? = 0
configure:2821: result: yes
configure:2955: WARNING: F90 value is set to be consistent with value of MPIF90
configure:3013: checking for mpiifort
configure:3029: found /opt/intel/oneapi/mpi/2021.7.1//bin/mpiifort
configure:3040: result: mpiifort
configure:3066: checking for Fortran compiler version
configure:3075: mpiifort --version >&5
ifort (IFORT) 2021.7.1 20221019
Copyright (C) 1985-2022 Intel Corporation. All rights reserved.
configure:3086: $? = 0
configure:3075: mpiifort -v >&5
mpiifort for the Intel(R) MPI Library 2021.7 for Linux*
Copyright Intel Corporation.
ifort version 2021.7.1
configure:3086: $? = 0
configure:3075: mpiifort -V >&5
Intel(R) Fortran Intel(R) 64 Compiler Classic for applications running on
Intel(R) 64, Version 2021.7.1 Build 20221019_000000
Copyright (C) 1985-2022 Intel Corporation. All rights reserved.
configure:3086: $? = 0
configure:3075: mpiifort -qversion >&5
ifort: command line warning #10006: ignoring unknown option '-qversion'
ld:
/opt/intel/oneapi/compiler/2022.2.1/linux/bin/intel64/../../compiler/lib/intel64_lin/for_main.o:
in function `main':
for_main.c:(.text+0x19): undefined reference to `MAIN__'
configure:3086: $? = 1
configure:3095: checking whether we are using the GNU Fortran compiler
configure:3108: mpiifort -c -g conftest.F >&5
conftest.F(3): error #5082: Syntax error, found END-OF-STATEMENT when expecting
one of: ( : % [ . = =>
choke me
---------------^
conftest.F(3): error #6218: This statement is positioned incorrectly and/or has
syntax errors.
choke me
-------^
compilation aborted for conftest.F (code 1)
configure:3108: $? = 1
configure: failed program was:
| program main
| #ifndef __GNUC__
| choke me
| #endif
|
| end
configure:3117: result: no
configure:3123: checking whether mpiifort accepts -g
configure:3134: mpiifort -c -g conftest.f >&5
configure:3134: $? = 0
configure:3142: result: yes
configure:3292: checking for Fortran flag to compile .f90 files
configure:3312: mpiifort -c -g conftest.f90 >&5
configure:3312: $? = 0
configure:3321: result: none
configure:3496: checking for C compiler version
configure:3505: mpiicc --version >&5
icc (ICC) 2021.7.1 20221019
Copyright (C) 1985-2022 Intel Corporation. All rights reserved.
icc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and
will be removed from product release in the second half of 2023. The Intel(R)
oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward.
Please transition to use this compiler. Use '-diag-disable=10441' to disable
this message.
configure:3516: $? = 0
configure:3505: mpiicc -v >&5
mpiicc for the Intel(R) MPI Library 2021.7 for Linux*
Copyright Intel Corporation.
icc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and
will be removed from product release in the second half of 2023. The Intel(R)
oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward.
Please transition to use this compiler. Use '-diag-disable=10441' to disable
this message.
icc version 2021.7.1 (gcc version 11.3.0 compatibility)
configure:3516: $? = 0
configure:3505: mpiicc -V >&5
Intel(R) C Intel(R) 64 Compiler Classic for applications running on Intel(R)
64, Version 2021.7.1 Build 20221019_000000
Copyright (C) 1985-2022 Intel Corporation. All rights reserved.
icc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and
will be removed from product release in the second half of 2023. The Intel(R)
oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward.
Please transition to use this compiler. Use '-diag-disable=10441' to disable
this message.
configure:3516: $? = 0
configure:3505: mpiicc -qversion >&5
icc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and
will be removed from product release in the second half of 2023. The Intel(R)
oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward.
Please transition to use this compiler. Use '-diag-disable=10441' to disable
this message.
icc: command line warning #10006: ignoring unknown option '-qversion'
ld: /usr/lib/gcc/x86_64-linux-gnu/11/../../../x86_64-linux-gnu/Scrt1.o: in
function `_start':
(.text+0x1b): undefined reference to `main'
configure:3516: $? = 1
configure:3520: checking whether we are using the GNU C compiler
configure:3539: mpiicc -c conftest.c >&5
icc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and
will be removed from product release in the second half of 2023. The Intel(R)
oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward.
Please transition to use this compiler. Use '-diag-disable=10441' to disable
this message.
configure:3539: $? = 0
configure:3548: result: yes
configure:3557: checking whether mpiicc accepts -g
configure:3577: mpiicc -c -g conftest.c >&5
icc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and
will be removed from product release in the second half of 2023. The Intel(R)
oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward.
Please transition to use this compiler. Use '-diag-disable=10441' to disable
this message.
configure:3577: $? = 0
configure: failed program was:
| /* confdefs.h */
| #define PACKAGE_NAME "ESPRESSO"
| #define PACKAGE_TARNAME "espresso"
| #define PACKAGE_VERSION "7.1"
| #define PACKAGE_STRING "ESPRESSO 7.1"
| #define PACKAGE_BUGREPORT ""
| #define PACKAGE_URL ""
| /* end confdefs.h. */
|
| int
| main ()
| {
|
| ;
| return 0;
| }
configure:3592: mpiicc -c conftest.c >&5
icc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and
will be removed from product release in the second half of 2023. The Intel(R)
oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward.
Please transition to use this compiler. Use '-diag-disable=10441' to disable
this message.
configure:3592: $? = 0
configure: failed program was:
| /* confdefs.h */
| #define PACKAGE_NAME "ESPRESSO"
| #define PACKAGE_TARNAME "espresso"
| #define PACKAGE_VERSION "7.1"
| #define PACKAGE_STRING "ESPRESSO 7.1"
| #define PACKAGE_BUGREPORT ""
| #define PACKAGE_URL ""
| /* end confdefs.h. */
|
| int
| main ()
| {
|
| ;
| return 0;
| }
configure:3608: mpiicc -c -g conftest.c >&5
icc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and
will be removed from product release in the second half of 2023. The Intel(R)
oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward.
Please transition to use this compiler. Use '-diag-disable=10441' to disable
this message.
configure:3608: $? = 0
configure:3618: result: yes
configure:3635: checking for mpiicc option to accept ISO C89
configure:3698: mpiicc -c -g -O2 conftest.c >&5
icc: remark #10441: The Intel(R) C++ Compiler Classic (ICC) is deprecated and
will be removed from product release in the second half of 2023. The Intel(R)
oneAPI DPC++/C++ Compiler (ICX) is the recommended compiler moving forward.
Please transition to use this compiler. Use '-diag-disable=10441' to disable
this message.
configure:3698: $? = 0
configure:3711: result: none needed
configure:4363: checking whether make sets $(MAKE)
configure:4385: result: yes
configure:4525: checking for Fortran 77 compiler version
configure:4534: ifort --version >&5
ifort (IFORT) 2021.7.1 20221019
Copyright (C) 1985-2022 Intel Corporation. All rights reserved.
configure:4545: $? = 0
configure:4534: ifort -v >&5
ifort version 2021.7.1
configure:4545: $? = 0
configure:4534: ifort -V >&5
Intel(R) Fortran Intel(R) 64 Compiler Classic for applications running on
Intel(R) 64, Version 2021.7.1 Build 20221019_000000
Copyright (C) 1985-2022 Intel Corporation. All rights reserved.
configure:4545: $? = 0
configure:4534: ifort -qversion >&5
ifort: command line warning #10006: ignoring unknown option '-qversion'
ifort: command line error: no files specified; for help type "ifort -help"
configure:4545: $? = 1
configure:4554: checking whether we are using the GNU Fortran 77 compiler
configure:4567: ifort -c -O2 -assume byterecl -g -traceback -nomodule
conftest.F >&5
conftest.F(3): error #5082: Syntax error, found END-OF-STATEMENT when expecting
one of: ( : % [ . = =>
choke me
---------------^
conftest.F(3): error #6218: This statement is positioned incorrectly and/or has
syntax errors.
choke me
-------^
compilation aborted for conftest.F (code 1)
configure:4567: $? = 1
configure: failed program was:
| program main
| #ifndef __GNUC__
| choke me
| #endif
|
| end
configure:4576: result: no
configure:4582: checking whether ifort accepts -g
configure:4593: ifort -c -g conftest.f >&5
configure:4593: $? = 0
configure:4601: result: yes
configure:4727: checking for library containing dgemm
configure:4745: ifort -o conftest -O2 -assume byterecl -g -traceback -nomodule
conftest.f >&5
ld: /tmp/ifort9yUYZu.o: in function `MAIN__':
/home/chamara/qe-7.1/conftest.f:2: undefined reference to `dgemm_'
configure:4745: $? = 1
configure: failed program was:
| program main
| call dgemm
| end
configure:4745: ifort -o conftest -O2 -assume byterecl -g -traceback -nomodule
conftest.f -lmkl_intel_lp64 -lmkl_sequential -lmkl_core >&5
configure:4745: $? = 0
configure:4762: result: -lmkl_intel_lp64
configure:5694: checking FFT
configure:6162: result:
configure:6322: checking MASS
configure:6559: result:
configure:6590: checking for library containing mpi_init
configure:6608: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f >&5
configure:6608: $? = 0
configure:6625: result: none required
configure:6706: checking for library containing pdgemr2d
configure:6724: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f >&5
ld: /tmp/ifortUNb51n.o: in function `MAIN__':
/home/chamara/qe-7.1/conftest.f:2: undefined reference to `pdgemr2d_'
configure:6724: $? = 1
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6724: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f >&5
ld: /tmp/ifortCPw0KM.o: in function `MAIN__':
/home/chamara/qe-7.1/conftest.f:2: undefined reference to `pdgemr2d_'
configure:6724: $? = 1
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6741: result: no
configure:6761: checking for library containing pdgemr2d
configure:6779: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f -lmkl_intel_lp64 -lmkl_sequential -lmkl_core >&5
ld: /tmp/ifortPhynjO.o: in function `MAIN__':
/home/chamara/qe-7.1/conftest.f:2: undefined reference to `pdgemr2d_'
configure:6779: $? = 1
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6779: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64
-lmkl_intel_lp64 -lmkl_sequential -lmkl_core >&5
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_comm_null'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `MPI_Comm_f2c'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_double'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_dblcplex'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_packed'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_op_max'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_op_maxloc'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_op_min'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_byte'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_comm_world'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_float'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_request_null'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_cplex'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_unsigned_short'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `MPI_Comm_c2f'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_double_int'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_int'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_long_long_int'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_integer'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_dblprec'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `MPI_Type_f2c'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `MPI_Op_f2c'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_op_sum'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `MPI_Op_c2f'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `ompi_mpi_real'
ld: /opt/intel/oneapi/mkl/2022.2.1/lib/intel64/libmkl_blacs_openmpi_lp64.so:
undefined reference to `MPI_Type_c2f'
configure:6779: $? = 1
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6796: result: no
configure:6813: checking for library containing pdgemr2d
configure:6831: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f -lsci >&5
ld: cannot find -lsci: No such file or directory
configure:6831: $? = 1
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6831: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f -lsci >&5
ld: cannot find -lsci: No such file or directory
configure:6831: $? = 1
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6848: result: no
configure:6863: checking for library containing pdgemr2d
configure:6881: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f -lscalapack >&5
ld: cannot find -lscalapack: No such file or directory
configure:6881: $? = 1
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6881: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f -lscalapack >&5
ld: cannot find -lscalapack: No such file or directory
configure:6881: $? = 1
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6898: result: no
configure:6914: checking for library containing pdgemr2d
configure:6932: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f -lscalapack -lblacs -lblacsF77init -lblacs >&5
ld: cannot find -lscalapack: No such file or directory
ld: cannot find -lblacs: No such file or directory
ld: cannot find -lblacsF77init: No such file or directory
ld: cannot find -lblacs: No such file or directory
configure:6932: $? = 1
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6932: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f -lscalapack -lblacs -lblacsF77init -lblacs >&5
ld: cannot find -lscalapack: No such file or directory
ld: cannot find -lblacs: No such file or directory
ld: cannot find -lblacsF77init: No such file or directory
ld: cannot find -lblacs: No such file or directory
configure:6932: $? = 1
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6949: result: no
configure:6967: checking for library containing pdgemr2d
configure:6985: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f -L/bgsys/local/scalapack/lib -lscalapack
-L/bgsys/local/blacs/lib -lblacs -lblacsF77init -lblacs >&5
ld: cannot find -lscalapack: No such file or directory
ld: cannot find -lblacs: No such file or directory
ld: cannot find -lblacsF77init: No such file or directory
ld: cannot find -lblacs: No such file or directory
configure:6985: $? = 1
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6985: mpiifort -o conftest -O2 -assume byterecl -g -traceback
-nomodule conftest.f -L/bgsys/local/scalapack/lib -lscalapack
-L/bgsys/local/blacs/lib -lblacs -lblacsF77init -lblacs >&5
ld: cannot find -lscalapack: No such file or directory
ld: cannot find -lblacs: No such file or directory
ld: cannot find -lblacsF77init: No such file or directory
ld: cannot find -lblacs: No such file or directory
configure:6985: $? = 1
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:7002: result: no
configure:7046: checking ELPA
configure:7122: result:
configure:7629: checking for Environ
configure:7655: result: not used
configure:7694: checking for ranlib
configure:7710: found /usr/bin/ranlib
configure:7722: result: ranlib
configure:7748: checking for wget
configure:7764: found /usr/bin/wget
configure:7775: result: wget -O
configure:7834: checking for git
configure:7850: found /usr/bin/git
configure:7861: result: git
configure:8034: creating ./config.status
## ---------------------- ##
## Running config.status. ##
## ---------------------- ##
This file was extended by ESPRESSO config.status 7.1, which was
generated by GNU Autoconf 2.69. Invocation command line was
CONFIG_FILES =
CONFIG_HEADERS =
CONFIG_LINKS =
CONFIG_COMMANDS =
$ ./config.status
on DESKTOP-OO83HS8
config.status:857: creating install/make_lapack.inc
config.status:857: creating include/configure.h
config.status:857: creating make.inc
config.status:857: creating configure.msg
config.status:857: creating install/make_wannier90.inc
config.status:857: creating include/qe_cdefs.h
## ---------------- ##
## Cache variables. ##
## ---------------- ##
ac_cv_build=x86_64-pc-linux-gnu
ac_cv_c_compiler_gnu=yes
ac_cv_env_CC_set=set
ac_cv_env_CC_value=mpiicc
ac_cv_env_CFLAGS_set=
ac_cv_env_CFLAGS_value=
ac_cv_env_CPPFLAGS_set=
ac_cv_env_CPPFLAGS_value=
ac_cv_env_EXTLIB_FLAGS_set=
ac_cv_env_EXTLIB_FLAGS_value=
ac_cv_env_F77_set=set
ac_cv_env_F77_value=mpiifort
ac_cv_env_FCFLAGS_set=
ac_cv_env_FCFLAGS_value=
ac_cv_env_FC_set=
ac_cv_env_FC_value=
ac_cv_env_FFLAGS_set=
ac_cv_env_FFLAGS_value=
ac_cv_env_LDFLAGS_set=
ac_cv_env_LDFLAGS_value=
ac_cv_env_LIBS_set=
ac_cv_env_LIBS_value=
ac_cv_env_build_alias_set=
ac_cv_env_build_alias_value=
ac_cv_env_host_alias_set=
ac_cv_env_host_alias_value=
ac_cv_env_target_alias_set=
ac_cv_env_target_alias_value=
ac_cv_f77_compiler_gnu=no
ac_cv_fc_compiler_gnu=no
ac_cv_fc_srcext_f90=none
ac_cv_objext=o
ac_cv_prog_ac_ct_FC=mpiifort
ac_cv_prog_cc_c89=
ac_cv_prog_cc_g=yes
ac_cv_prog_f77_g=yes
ac_cv_prog_fc_g=yes
ac_cv_prog_git=git
ac_cv_prog_make_make_set=yes
ac_cv_prog_ranlib=ranlib
ac_cv_prog_wget='wget -O'
ac_cv_search_dgemm=-lmkl_intel_lp64
ac_cv_search_mpi_init='none required'
ac_cv_search_pdgemr2d=no
## ----------------- ##
## Output variables. ##
## ----------------- ##
CC='mpiicc'
CFLAGS='-g -O2'
CPPFLAGS=''
Configured for compilation of parallel executables.'
DEFS='-DHAVE_CONFIG_H'
ECHO_C=''
ECHO_N='-n'
ECHO_T=''
EXEEXT=''
EXTLIB_FLAGS=''
F77='mpiifort'
FC='mpiifort'
FCFLAGS='-g'
FCFLAGS_f90=''
FFLAGS='-O2 -assume byterecl -g -traceback -nomodule'
LDFLAGS=''
LIBOBJS=''
LIBS=' -L/bgsys/local/scalapack/lib -lscalapack -L/bgsys/local/blacs/lib
-lblacs -lblacsF77init -lblacs'
LIBS_LIBXC=''
LTLIBOBJS=''
OBJEXT='o'
PACKAGE_BUGREPORT=''
PACKAGE_NAME='ESPRESSO'
PACKAGE_STRING='ESPRESSO 7.1'
PACKAGE_TARNAME='espresso'
PACKAGE_URL=''
PACKAGE_VERSION='7.1'
PATH_SEPARATOR=':'
SET_MAKE=''
SHELL='/bin/bash'
ac_ct_CC=''
ac_ct_F77=''
ac_ct_FC='mpiifort'
ar='ar'
arch='x86_64'
arflags='ruv'
bindir='${exec_prefix}/bin'
blas_libs=' -lmkl_intel_lp64 -lmkl_sequential -lmkl_core'
blas_line='BLAS_LIBS= -lmkl_intel_lp64 -lmkl_sequential -lmkl_core'
build='x86_64-pc-linux-gnu'
build_alias=''
build_cpu='x86_64'
build_os='linux-gnu'
build_vendor='pc'
cc='mpiicc'
cflags='-O3'
cpp='cpp'
cppflags='-P -traditional -Uvector'
cuda_cflags=''
cuda_extlibs='devxlib'
cuda_fflags=''
cuda_libs=''
cuda_runtime=''
datadir='${datarootdir}'
datarootdir='${prefix}/share'
dflags=' -D__DFTI -D__MPI'
docdir='${datarootdir}/doc/${PACKAGE_TARNAME}'
dvidir='${docdir}'
elpa_libs=''
elpa_line='@delete@'
environ_libs=''
exec_prefix='${prefix}'
extlib_flags=''
f90='ifort'
f90flags='$(FFLAGS) -nomodule'
f90rule='$(MPIF90) $(F90FLAGS) -c $<'
fdflags='$(DFLAGS) $(MANUAL_DFLAGS)'
fflags='-O2 -assume byterecl -g -traceback'
fflags_nomain='-nofor_main'
fflags_noopt='-O0 -assume byterecl -g -traceback'
fft_libs=''
fft_line='FFT_LIBS='
foxflags=''
git='git'
gpu_arch=''
hdf5_libs=''
hdf5_line=''
host_alias=''
htmldir='${docdir}'
iflags='-I. -I$(TOPDIR)/include -I$(TOPDIR)/FoX/finclude
-I/opt/intel/oneapi/mkl/2022.2.1/include'
imod='-I'
includedir='${prefix}/include'
infodir='${datarootdir}/info'
lapack_libs=''
lapack_line='LAPACK_LIBS='
lapack_target=''
ld='mpiifort'
ld_libs=''
ldflags=' '
libdir='${exec_prefix}/lib'
libexecdir='${exec_prefix}/libexec'
libxc_line=''
localedir='${datarootdir}/locale'
localstatedir='${prefix}/var'
mandir='${datarootdir}/man'
mass_libs=''
mass_line='@delete@'
mpi_libs=''
mpi_line='@delete@'
mpif90='mpiifort'
oldincludedir='/usr/include'
parallel_report='Parallel environment detected successfully.\
pdfdir='${docdir}'
pre_fdflags='-fpp -allow nofpp_comments '
prefix='/usr/local'
program_transform_name='s,x,x,'
psdir='${docdir}'
ranlib='ranlib'
sbindir='${exec_prefix}/sbin'
scalapack_libs=''
scalapack_line='@delete@'
sharedstatedir='${prefix}/com'
sysconfdir='${prefix}/etc'
target_alias=''
topdir='/home/chamara/qe-7.1'
wget='wget -O'
## ----------- ##
## confdefs.h. ##
## ----------- ##
/* confdefs.h */
#define PACKAGE_NAME "ESPRESSO"
#define PACKAGE_TARNAME "espresso"
#define PACKAGE_VERSION "7.1"
#define PACKAGE_STRING "ESPRESSO 7.1"
#define PACKAGE_BUGREPORT ""
#define PACKAGE_URL ""
configure: exit 0
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
