[Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories
Michael Fechtelkord
Michael.Fechtelkord at ruhr-uni-bochum.de
Sun Jan 5 15:37:27 CET 2025
The problem seems to be that FFTW configure if using ifx as default
Fortran compiler does not know how to link C and FORTRAN and then it
uses default Fortran wrappers. Setting ifort as default, configure finds
all links.
I copy here the essential output for both ifort and ifx:
ifx:
checking for Fortran 77 libraries of ifx... -lm -loopopt=1
-L/opt/intel/oneapi/tbb/2021.13/env/../lib/intel64/gcc4.8
-L/opt/intel/oneapi/mpi/2021.13/lib -L/opt/intel/oneapi/mkl/2024.2/lib/
-L/opt/intel/oneapi/dpl/2022.6/lib
-L/opt/intel/oneapi/compiler/2024.2/lib
-L/opt/intel/oneapi/compiler/2024.2/lib/clang/19/lib/x86_64-unknown-linux-gnu
-L/usr/lib64/gcc/x86_64-suse-linux/13/
-L/usr/lib64/gcc/x86_64-suse-linux/13/../../../../lib64
-L/usr/lib64/gcc/x86_64-suse-linux/13/../../../../lib64/ -L/lib/../lib64
-L/lib/../lib64/ -L/usr/lib/../lib64
-L/usr/lib/../lib64/
-L/opt/intel/oneapi/tbb/2021.13/env/../lib/intel64/gcc4.8/
-L/opt/intel/oneapi/mpi/2021.13/lib/ -L/opt/intel/oneapi/dpl/2022.6/lib/
-L/opt/intel/oneapi/compiler/2024.2/lib/
-L/usr/lib64/gcc/x86_64-suse-linux/13/../../../../x86_64-suse-linux/lib/
-L/usr/lib64/gcc/x86_64-suse-linux/13/../../../ -L/lib64 -L/lib/
-L/usr/lib64
-L/usr/lib -limf -lifport -lifcoremt -lsvml -lipgo -lirc -lpthread
-lirc_s -ldl
checking for dummy main to link with Fortran 77 libraries... unknown
*configure: WARNING: *** Couldn't figure out how to link C and Fortran;
using default Fortran wrappers.*
checking for OpenMP flag of C compiler... -fopenmp
checking whether a cycle counter is available... yes
checking that generated files are newer than configure... done
ifort:
checking for Fortran 77 libraries of ifort...
-L/opt/intel/oneapi/tbb/2021.13/env/../lib/intel64/gcc4.8
-L/opt/intel/oneapi/mpi/2021.13/lib -L/opt/intel/oneapi/mkl/2024.2/lib/
-L/opt/intel/oneapi/dpl/2022.6/lib
-L/opt/intel/oneapi/compiler/2024.2/lib
-L/opt/intel/oneapi/compiler/2024.2/bin/../lib
-L/opt/intel/oneapi/compiler/2024.2/bin/../opt/compiler/lib
-L/usr/lib64/gcc/x86_64-suse-linux/13/
-L/usr/lib64/gcc/x86_64-suse-linux/13/../../../../lib64
-L/usr/lib64/gcc/x86_64-suse-linux/13/../../../../lib64/ -L/lib/../lib64
-L/lib/../lib64/ -L/usr/lib/../lib64
-L/usr/lib/../lib64/
-L/opt/intel/oneapi/tbb/2021.13/env/../lib/intel64/gcc4.8/
-L/opt/intel/oneapi/mpi/2021.13/lib/ -L/opt/intel/oneapi/dpl/2022.6/lib/
-L/opt/intel/oneapi/compiler/2024.2/lib/
-L/usr/lib64/gcc/x86_64-suse-linux/13/../../../../x86_64-suse-linux/lib/
-L/usr/lib64/gcc/x86_64-suse-linux/13/../../../ -L/lib64 -L/lib/
-L/usr/lib64
-L/usr/lib -limf -lm -lifport -lifcoremt -lsvml -lipgo -lirc -lpthread
-lirc_s -ldl
checking for dummy main to link with Fortran 77 libraries... none
checking for Fortran 77 name-mangling scheme... lower case, underscore,
no extra underscore
checking for OpenMP flag of C compiler... -fopenmp
checking for Win32 threads... no
checking for the pthreads library -lpthreads... no
checking whether pthreads work without any flags... yes
checking for joinable pthread attribute... PTHREAD_CREATE_JOINABLE
checking if more special flags are required for pthreads... no
checking whether a cycle counter is available... yes
checking that generated files are newer than configure... done
Best regards,
Michael
Am 05.01.2025 um 12:33 schrieb Michael Fechtelkord via Wien:
> LAPW0 works in my ifx compilation (currently 2024.2 because it still
> contains ifort, gcc is 13.2). When I run the following configure for
> fftw3 and compile:
>
> FC=ifort F77=ifort CC=gcc CFLAGS="-O3 -march=native -mavx2"
> FCFLAGS="-O3 -xAVX2 -diag-disable=10448"\
> ./configure --prefix=/usr/local/ --enable-shared --enable-mpi
> --enable-openmp --enable-threads --enable-avx --enable-avx2
>
>
> there is no compilation error for 3ddens. Do I change to
>
> FC=ifx F77=ifx CC=gcc CFLAGS="-O3 -march=native -mavx2" FCFLAGS="-O3
> -xAVX2"\
> ./configure --prefix=/usr/local/ --enable-shared --enable-mpi
> --enable-openmp --enable-threads --enable-avx --enable-avx2
>
> I got the error for 3ddens in compilation:
>
>
> /usr/lib64/gcc/x86_64-suse-linux/13/../../../../x86_64-suse-linux/bin/ld:
> 3ddens.o: in function `MAIN__':
> ifxim7AOm.i:(.text+0x4fe9): undefined reference to `dfftw_init_threads_'
> /usr/lib64/gcc/x86_64-suse-linux/13/../../../../x86_64-suse-linux/bin/ld:
> ifxim7AOm.i:(.text+0x5004): undefined reference to
> `dfftw_plan_with_nthreads_'
>
> make: *** [Makefile:65: 3ddens] Fehler 1
>
> FFTW uses also a fortran part, except you switch it of with
>
> --disable-fortran: Disables inclusion of legacy-Fortran wrapper
> routines (see
> Chapter 8 [Calling FFTW from Legacy Fortran], page 87) in the standard
> FFTW
> libraries. These wrapper routines increase the library size by only a
> negligible amount,
> so they are included by default as long as the configure script finds
> a Fortran
> compiler on your system. (To specify a particular Fortran compiler
> foo, pass F77=foo
> to configure.)
>
>
> So it is possible that the problem is due to different wrappers when I
> specify ifort or ifx as particular Fortran compiler.
>
>
> Best regards,
>
> Michael
>
>
>
>
> Am 05.01.2025 um 09:49 schrieb Fecher, Gerhard:
>> Sorry, ifort was a typo, fftw3 is pure C++ library and does not need
>> any Fortran compiler
>> I used for fftw3 both the old icc and the new icx, without observing
>> any remarkable difference during run-time..
>> (I iused icx (instead of gcc) already since the 2023 OneAPI without
>> problems)
>> For ifx (or ifort) the Fortran wrappers for fftw are in the OneAPI
>> include directories
>> (for gnu you probably may need the switch --with-g77-wrappers in
>> configure)
>>
>> I wonder why in your case 3ddens fails, but lapw0 succeeds (does it ?)
>>
>> Ciao
>> Gerhard
>>
>> DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
>> "I think the problem, to be quite honest with you,
>> is that you have never actually known what the question is."
>>
>> ====================================
>> Dr. Gerhard H. Fecher
>> Institut of Physics
>> Johannes Gutenberg - University
>> 55099 Mainz
>> ________________________________________
>> Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von
>> Michael Fechtelkord via Wien [wien at zeus.theochem.tuwien.ac.at]
>> Gesendet: Samstag, 4. Januar 2025 19:49
>> An: A Mailing list for WIEN2k users
>> Cc: Michael Fechtelkord
>> Betreff: Re: [Wien] ifort classic compiler now discontinued in
>> one-api 2025.0 online repositories
>>
>> Dear Gerhard,
>>
>>
>> thanks for all your hints, they showed no difference. The link error
>> still occurred. But I saw that you used ifort, instead of ifx for
>> compiling the fftw3 libraries. And that makes the difference.
>>
>> When I compile the fftw libraries with ifx and gcc the link error occurs
>> for 3ddens. When I compile fftw3 with ifort and gcc, no error occurs in
>> compilation of 3ddens.
>>
>> I have no idea where the difference is.
>>
>> In the 2025 oneapi version ifort and icc do not exist any longer and
>> people cannot use it to compile the fftw3 library. So we have now to
>> find out what ifort does different compared to ifx when it compiles the
>> fftw3 code concerning intel threading.
>>
>>
>> Thanks again for your help and happy new year!
>>
>>
>> Best regards,
>>
>> Michael
>>
>>
>> Am 31.12.2024 um 17:42 schrieb Fecher, Gerhard:
>>> Dear Michael,
>>> as I reported before all routines were successfully compiled using
>>> current:FOPT:-free -O2 -xHost -fp-model=strict -DINTEL_VML
>>> -traceback -assume buffered_io -I$(MKLROOT)
>>> or
>>> current:FOPT:-free -w -O3 -xHost -fp-model=precise -DINTEL_VML
>>> -traceback -assume buffered_io -I$(MKLROOT)
>>>
>>> the only remaining problem (after updated some routines according to
>>> Preter and Gavin) that remained is tthat
>>> lapw0 does not run (produces a segmentation fault) when setting
>>> OMP_NUM_THREADS other than 1, however setting of MKL_NUM_THREADS works
>>> (this still remains when using the update of charge.f as suggested
>>> by Laurence)
>>>
>>> In my case 3ddens has no problems with fftw3
>>> I suggest to use a local directory for it in your home directory, I
>>> had problems at runtime with fftw3 from the OpenSuse repositories
>>> installed in /usr/lib64
>>> I also suggest to start with less optimization switches when making
>>> fftw3
>>> I guess you better use only one of --enable-openmp --enable-threads
>>> and you should check that make uses intel threading
>>> maybe your configure is not complete and you need also to set a
>>> correct LD
>>> I compiled it with ifort and icc
>>> I used at least something like
>>> configure --prefix=/myhomepath/lib/FFTW3 \
>>> CC=icc CFLAGS="-O3 -xHost -diag-disable=10441" \
>>> --enable-shared --enable-openmp
>>> and for mpi in addition:
>>> MPICC=mpiicc --enable-mpi LDFLAGS=-L/path/to/mpi/libs
>>> CPPFLAGS=-I/path/to/mpi/include ...’
>>>
>>> check the available configuration switches using configure --help=short
>>> If making different optimized versions, you can also give a version
>>> --comand-suffix=SUFFIX
>>>
>>> for lapw0 you can check wether you use the correct fftw3 using: ldd
>>> lapw0
>>> is it the one you intended to be used ? Check also your LD_LIBRARY_PATH
>>>
>>>
>>> Ciao
>>> Gerhard
>>>
>>> DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
>>> "I think the problem, to be quite honest with you,
>>> is that you have never actually known what the question is."
>>>
>>> ====================================
>>> Dr. Gerhard H. Fecher
>>> Institut of Physics
>>> Johannes Gutenberg - University
>>> 55099 Mainz
--
Dr. Michael Fechtelkord
Institut für Geologie, Mineralogie und Geophysik
Ruhr-Universität Bochum
Universitätsstr. 150
D-44780 Bochum
Phone: +49 (234) 32-24380
Fax: +49 (234) 32-04380
Email:Michael.Fechtelkord at ruhr-uni-bochum.de
Web Page:https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20250105/58266565/attachment.htm>
More information about the Wien
mailing list