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Caught signal 7 (Bus error: <unknown si_code>)

Posted: Tue Dec 02, 2025 4:40 pm
by reynaldo.putra

Hello,

I'm posting in this section because I am unsure whether it is more appropriate to post here or in the bug reports.

I caught this message which led to the job termination, and I am wondering whether this is an error of the HPC cluster or of VASP. I have attached the related input and output files as well. The error specified in the slurm output file is specifically at around line 5780. Thank you for your time!

Code: Select all

[c322:127578:0:127578] Caught signal 7 (Bus error: <unknown si_code>)
==== backtrace (tid: 127578) ====
 0 0x0000000000038790 __sigaction()  ???:0
 1 0x000000000096fd13 hamil_mp_hamilt_local_()  ???:0
 2 0x0000000001386e26 rot_mp_edwav_()  ???:0
 3 0x00000000013bc5bd elmin_all_()  ???:0
 4 0x0000000001e274fc vamp_IP_electronic_optimization_()  main.f90:0
 5 0x0000000001dfdeee MAIN__()  ???:0
 6 0x000000000041abcd main()  ???:0
 7 0x000000000002394a __libc_init_first()  ???:0
 8 0x0000000000023a05 __libc_start_main()  ???:0
 9 0x000000000041aae1 _start()  ???:0
=================================
[c322:127578] *** Process received signal ***
[c322:127578] Signal: Bus error (7)
[c322:127578] Signal code:  (-6)
[c322:127578] Failing at address: 0x2fcddd0001f25a
[c322:127578] [ 0] /cvmfs/soft.computecanada.ca/gentoo/2023/x86-64-v3/usr/lib64/libc.so.6(+0x38790)[0x147d8cc63790]
[c322:127578] [ 1] /opt/software/easybuild/2023/x86-64-v3/MPI/intel2023/openmpi4/vasp/6.4.2/bin/vasp_std[0x96fd13]
[c322:127578] [ 2] /opt/software/easybuild/2023/x86-64-v3/MPI/intel2023/openmpi4/vasp/6.4.2/bin/vasp_std[0x1386e26]
[c322:127578] [ 3] /opt/software/easybuild/2023/x86-64-v3/MPI/intel2023/openmpi4/vasp/6.4.2/bin/vasp_std[0x13bc5bd]
[c322:127578] [ 4] /opt/software/easybuild/2023/x86-64-v3/MPI/intel2023/openmpi4/vasp/6.4.2/bin/vasp_std[0x1e274fc]
[c322:127578] [ 5] /opt/software/easybuild/2023/x86-64-v3/MPI/intel2023/openmpi4/vasp/6.4.2/bin/vasp_std[0x1dfdeee]
[c322:127578] [ 6] /opt/software/easybuild/2023/x86-64-v3/MPI/intel2023/openmpi4/vasp/6.4.2/bin/vasp_std[0x41abcd]
[c322:127578] [ 7] /cvmfs/soft.computecanada.ca/gentoo/2023/x86-64-v3/usr/lib64/libc.so.6(+0x2394a)[0x147d8cc4e94a]
[c322:127578] [ 8] /cvmfs/soft.computecanada.ca/gentoo/2023/x86-64-v3/usr/lib64/libc.so.6(__libc_start_main+0x85)[0x147d8cc4ea05]
[c322:127578] [ 9] /opt/software/easybuild/2023/x86-64-v3/MPI/intel2023/openmpi4/vasp/6.4.2/bin/vasp_std[0x41aae1]
[c322:127578] *** End of error message ***
srun: error: c322: task 32: Bus error (core dumped)
srun: Terminating StepId=5251966.0
slurmstepd: error: *** STEP 5251966.0 ON c322 CANCELLED AT 2025-12-02T11:12:46 ***
forrtl: error (78): process killed (SIGTERM)

Re: Caught signal 7 (Bus error: <unknown si_code>)

Posted: Wed Dec 03, 2025 8:57 am
by jonathan_lahnsteiner2

Dear Reynaldo Putra,

I was checking your input/ output files. If you check the energies in your OUTCAR file they seem to be way off. You can obtain them by grep TOTEN OUTCAR.
So the electronic minimization is not able to converge to a meaningful result and even goes to regions where the minimizer throws an error. I would recommend to repeat the simulation with a simpler potential as PBE
to check if the issues you are experiencing are related to the input structure.

All the Best Jonathan