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

[Peter Blaha]

Just for some more info:

Does this crash also occur in  an mpirun of lapw0 ?? (would point to fftw)

What is your OMP_NUM_THREADS  variable ? Set it to one (also in .bashrc).



Am 29.08.2025 um 12:54 schrieb Michael Fechtelkord via Wien:
> 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:
> 
> 

-- 
-----------------------------------------------------------------------
Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
-------------------------------------------------------------------------