[Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error
Gavin Abo
gabo13279 at gmail.com
Mon Sep 1 02:30:33 CEST 2025
On the Intel webpage at [1], there is:
/In late calendar year 2025, all downloads of ifort will be removed from
our repositories and Intel® Registration Center downloads./
I don't see an exact date given, but that "Error 403 Forbidden" might be
an indication that the above has taken place.
On the Intel webpage at [2] under "What kind of support can I expect for
legacy products like Intel/®/ Parallel Studio or products that are no
longer available to download", it looks the following is still a way to
obtain ifort:
/Users who originally purchased prior generational products (like Intel®
Parallel Studio XE or Intel® System Studio) and still have an active
Priority Support entitlement may request access to older downloads and
limited installation support by opening a support ticket
[https://supporttickets.intel.com/]./
[1]
https://community.intel.com/t5/Blogs/Tech-Innovation/Tools/Deprecation-of-The-Intel-Fortran-Compiler-Classic-ifort/post/1541699
[2]
https://www.intel.com/content/www/us/en/developer/get-help/faq-priority-support.html#who-is-eligible
Kind Regards,
Gavin
WIEN2k user
On 8/29/2025 7:12 AM, Michael Fechtelkord via Wien wrote:
>
> Thanks again Laurence!
>
>
> icc is already deprecated in my ifort package.
>
> Intel Server denies access to download the packages.
>
> # |wget -c
> https://registrationcenter-download.intel.com/akdlm/irc_nas/17427/l_HPCKit_p_2021.1.0.2684_offline.sh
> |
>
> Error 403 Forbidden
>
>
> Best regards,
>
> Michael
>
>
> Am 29.08.2025 um 14:54 schrieb Laurence Marks:
>> Use icc for fftw
>> Search for and download:
>> l_HPCKit_p_2021.1.0.2684.sh <http://l_HPCKit_p_2021.1.0.2684.sh>
>> l_BaseKit_p_2021.1.0.2659.sh <http://l_BaseKit_p_2021.1.0.2659.sh>
>>
>> Fingers crossed the depositories are still available.
>>
>> On Fri, Aug 29, 2025 at 7:34 AM Michael Fechtelkord via Wien
>> <wien at zeus.theochem.tuwien.ac.at> wrote:
>>
>> Thanks Laurence for your suggestions!
>>
>>
>> 1) Using ifort / icc .. Compiling fftw3 with icx of the one-api
>> package and "make check" gives the same relink error during mpirun .
>>
>> 2) Unfortunately I have only the latest and last ifort version
>>
>> 3) Does not change anything for the compilation of fftw3 because
>> it is completely written in C and only linked to ifort in the
>> WIEN2k compilation.
>>
>>
>> Thanks again for your help!
>>
>>
>> Best regards,
>>
>> Michael
>>
>>
>> Am 29.08.2025 um 13:35 schrieb Laurence Marks:
>>> This link may help: https://github.com/spack/spack/issues/48296
>>> . It appears to be an inconsistency between system libraries and
>>> ifort. Not easy to cure. (There might be other pages, search
>>> with ifort + Relink.)
>>>
>>> Three possibilities:
>>> 1. Compile fftw3 with ifort/icc. While ifort & gcc are supposed
>>> to be compatible, it could be that they are using different
>>> system libraries.
>>> 2. Regress to 2021.1.1 . I tested others and was not convinced
>>> they were better, in fact they could be buggy. You don't have to
>>> uninstall other versions, use a config file.
>>> 3. Add -mcmodel=medium to your ifort line. I had to after a
>>> recent OS update, although I cannot remember the exact reason why.
>>> ___
>>> Emeritus Professor Laurence Marks (Laurie)
>>> Department of Materials Science and Engineering, Northwestern
>>> University
>>> www.numis.northwestern.edu <http://www.numis.northwestern.edu>
>>> "Research is to see what everybody else has seen, and to think
>>> what nobody else has thought" Albert Szent-Györgyi
>>>
>>> On Fri, Aug 29, 2025, 05:54 Michael Fechtelkord via Wien
>>> <wien at zeus.theochem.tuwien.ac.at> wrote:
>>>
>>> Dear all,
>>>
>>>
>>> I am back now to ifort 2021.13 because it crashes much less
>>> as the new
>>> ifx compiler, also it produces omp errors using fftw3 during
>>> compilation.
>>>
>>> All worked fine since the last Open Suse Tumbleweed version
>>> using Kernel
>>> 6.16.3-1 (Opensuse Tumbleweed 202250827). Parallel Jobs
>>> terminate when
>>> using "mpirun" with the following error. The same error
>>> appears when I
>>> have compiled fftw 3.10 with gcc 15.1 and run "make check"
>>> the check
>>> routine crashes when using mpirun with the same error.
>>>
>>>
>>> Does somebody know what that relink error means and how to
>>> solve it? Is
>>> it maybe the opensuse libm.so.6 library (glibc version
>>> 2.42.1) causing
>>> the error, because the new version does not contain the
>>> symbol, libmpi
>>> is reqeusting?
>>>
>>>
>>>
>>> Best regards,
>>>
>>> Michael
>>>
>>> ---------------
>>>
>>> EXECUTING: mpirun -np 4 -machinefile .machine_nmrinteg
>>> /usr/local/WIEN2k/nmr_mpi -case MgF2 -mode integ -green
>>>
>>> /usr/local/WIEN2k/nmr_mpi: Relink
>>> `/opt/intel/oneapi/mpi/2021.13/lib/libmpi.so.12' with
>>> `/lib64/libm.so.6'
>>> for IFUNC symbol `modff'
>>> /usr/local/WIEN2k/nmr_mpi: Relink
>>> `/opt/intel/oneapi/mpi/2021.13/lib/libmpi.so.12' with
>>> `/lib64/libm.so.6'
>>> for IFUNC symbol `modff'
>>> /usr/local/WIEN2k/nmr_mpi: Relink
>>> `/opt/intel/oneapi/mpi/2021.13/lib/libmpi.so.12' with
>>> `/lib64/libm.so.6'
>>> for IFUNC symbol `modff'
>>> /usr/local/WIEN2k/nmr_mpi: Relink
>>> `/opt/intel/oneapi/mpi/2021.13/lib/libmpi.so.12' with
>>> `/lib64/libm.so.6'
>>> for IFUNC symbol `modff'
>>>
>>> ===================================================================================
>>> = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
>>> = RANK 0 PID 396989 RUNNING AT localhost
>>> = KILLED BY SIGNAL: 11 (Segmentation fault)
>>> ===================================================================================
>>>
>>> ===================================================================================
>>> = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
>>> = RANK 1 PID 396990 RUNNING AT localhost
>>> = KILLED BY SIGNAL: 11 (Segmentation fault)
>>> ===================================================================================
>>>
>>> ===================================================================================
>>> = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
>>> = RANK 2 PID 396991 RUNNING AT localhost
>>> = KILLED BY SIGNAL: 11 (Segmentation fault)
>>> ===================================================================================
>>>
>>> ===================================================================================
>>> = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
>>> = RANK 3 PID 396992 RUNNING AT localhost
>>> = KILLED BY SIGNAL: 11 (Segmentation fault)
>>> ===================================================================================
>>>
>>> stop
>>>
>>> /opt/fftw-3.3.10/mpi/.libs/mpi-bench: Relink
>>> `/opt/intel/oneapi/mpi/2021.13/lib/libmpi.so.12' with
>>> `/lib64/libm.so.6'
>>> for IFUNC symbol `modff'
>>>
>>> ===================================================================================
>>> = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
>>> = RANK 0 PID 183831 RUNNING AT planck
>>> = KILLED BY SIGNAL: 11 (Segmentation fault)
>>> ===================================================================================
>>> FAILED mpirun -np 1 /opt/fftw-3.3.10/mpi/mpi-bench:
>>>
>>>
>>> --
>>> Dr. Michael Fechtelkord
>>>
>>> Institut für Geowissenschaften
>>> Ruhr-Universität Bochum
>>> Universitätsstr. 150
>>> <https://www.google.com/maps/search/Universit%C3%A4tsstr.+150?entry=gmail&source=g>
>>> D-44780 Bochum
>>>
>>> Phone: +49 (234) 32-24380
>>> Fax: +49 (234) 32-04380
>>> Email:Michael.Fechtelkord at ruhr-uni-bochum.de
>>> <mailto:Email%3AMichael.Fechtelkord at ruhr-uni-bochum.de>
>>> Web
>>> Page:https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
>>>
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>> SEARCH the MAILING-LIST at:
>>> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>>>
>> --
>> Dr. Michael Fechtelkord
>>
>> Institut für Geowissenschaften
>> 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/
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> SEARCH the MAILING-LIST at:
>> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>>
>>
>>
>> --
>> Emeritus Professor Laurence Marks (Laurie)
>> Northwestern University
>> Webpage <http://www.numis.northwestern.edu> and Google Scholar link
>> <http://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en>
>> "Research is to see what everybody else has seen, and to think what
>> nobody else has thought", Albert Szent-Györgyi
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> SEARCH the MAILING-LIST at:http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
> --
> Dr. Michael Fechtelkord
>
> Institut für Geowissenschaften
> 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/
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20250831/038d9d18/attachment-0001.htm>
More information about the Wien
mailing list