[Wien] NMR Integration crashes when using nmr_integ:localhost:4 in .machines Link error

Michael Fechtelkord Michael.Fechtelkord at ruhr-uni-bochum.de
Fri Aug 29 12:54:29 CEST 2025


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
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/



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