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)