[Wien] error in mixer
Peter Blaha
pblaha at theochem.tuwien.ac.at
Fri Apr 24 21:35:49 CEST 2020
You said it works in sequential mode.
It also seems to work on a few parallel nodes, but not on all.
Conclusion: Some of your machines are maybe 32 bit machines ???
Type: lse
It should give you a list of lapw1_x.error files. The one of non-zero
length are the one which crashed. Compare it to your .machines file and
you find which machines work and which one do not.
Am 24.04.2020 um 19:24 schrieb Mohad Abbasnejad:
> Dear Prof. Laurence Marks
>
> Thank you for your reply.
> I tried to run the program for the case which I was sure about it and it
> has been run on other system.
> Unfortunately, it was stopped at the first cycle in lapw1 with the
> following error:
>
> > stop error
>
> lapw1 0000000000404A4E Unknown Unknown Unknown
> libc.so.6 00001455524B30B3 Unknown Unknown Unknown
> lapw1 0000000000404B4C Unknown Unknown Unknown
> lapw1 000000000042F221 MAIN__ 61
> lapw1_tmp_.F
> lapw1 000000000040CCB5 calkpt_ 171
> calkpt_tmp_.F
> lapw1 0000000000425769 hns_ 613
> hns_tmp_.F
> lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f
> libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown
> libmkl_core.so 0000145552BF467C Unknown Unknown Unknown
> libmkl_def.so 00001455506CE1E9 Unknown Unknown Unknown
> libmkl_def.so 00001455506D31C3 Unknown Unknown Unknown
> libmkl_def.so 00001455506B8C72 Unknown Unknown Unknown
> Image PC Routine Line Source
> forrtl: severe (168): Program Exception - illegal instruction
> lapw1 0000000000404A4E Unknown Unknown Unknown
> libc.so.6 00001455524B30B3 Unknown Unknown Unknown
> lapw1 0000000000404B4C Unknown Unknown Unknown
> lapw1 000000000042F221 MAIN__ 61
> lapw1_tmp_.F
> lapw1 000000000040CCB5 calkpt_ 171
> calkpt_tmp_.F
> lapw1 0000000000425769 hns_ 613
> hns_tmp_.F
> lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f
> libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown
> libmkl_core.so 0000145552BF467C Unknown Unknown Unknown
> libmkl_def.so 00001455506D11E9 Unknown Unknown Unknown
> libmkl_def.so 00001455506D61C3 Unknown Unknown Unknown
> libmkl_def.so 00001455506BBC72 Unknown Unknown Unknown
> Image PC Routine Line Source
> forrtl: severe (168): Program Exception - illegal instruction
> lapw1 0000000000404A4E Unknown Unknown Unknown
> libc.so.6 00001455524B30B3 Unknown Unknown Unknown
> lapw1 0000000000404B4C Unknown Unknown Unknown
> lapw1 000000000042F221 MAIN__ 61
> lapw1_tmp_.F
> lapw1 000000000040CCB5 calkpt_ 171
> calkpt_tmp_.F
> lapw1 0000000000425769 hns_ 613
> hns_tmp_.F
> lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f
> libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown
> libmkl_core.so 0000145552BF467C Unknown Unknown Unknown
> libmkl_def.so 00001455506E21E9 Unknown Unknown Unknown
> libmkl_def.so 00001455506E71C3 Unknown Unknown Unknown
> libmkl_def.so 00001455506CCC72 Unknown Unknown Unknown
> Image PC Routine Line Source
> forrtl: severe (168): Program Exception - illegal instruction
> lapw1 0000000000404A4E Unknown Unknown Unknown
> libc.so.6 00001455524B30B3 Unknown Unknown Unknown
> lapw1 0000000000404B4C Unknown Unknown Unknown
> lapw1 000000000042F221 MAIN__ 61
> lapw1_tmp_.F
> lapw1 000000000040CCB5 calkpt_ 171
> calkpt_tmp_.F
> lapw1 0000000000425769 hns_ 613
> hns_tmp_.F
> lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f
> libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown
> libmkl_core.so 0000145552BF467C Unknown Unknown Unknown
> libmkl_def.so 00001455506C31E9 Unknown Unknown Unknown
> libmkl_def.so 00001455506C81C3 Unknown Unknown Unknown
> libmkl_def.so 00001455506ADC72 Unknown Unknown Unknown
> Image PC Routine Line Source
> forrtl: severe (168): Program Exception - illegal instruction
> lapw1 0000000000404A4E Unknown Unknown Unknown
> libc.so.6 00001455524B30B3 Unknown Unknown Unknown
> lapw1 0000000000404B4C Unknown Unknown Unknown
> lapw1 000000000042F221 MAIN__ 61
> lapw1_tmp_.F
> lapw1 000000000040CCB5 calkpt_ 171
> calkpt_tmp_.F
> lapw1 0000000000425769 hns_ 613
> hns_tmp_.F
> lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f
> libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown
> libmkl_core.so 0000145552BF467C Unknown Unknown Unknown
> libmkl_def.so 00001455506CE1E9 Unknown Unknown Unknown
> libmkl_def.so 00001455506D31C3 Unknown Unknown Unknown
> libmkl_def.so 00001455506B8C72 Unknown Unknown Unknown
> Image PC Routine Line Source
> forrtl: severe (168): Program Exception - illegal instruction
> lapw1 0000000000404A4E Unknown Unknown Unknown
> libc.so.6 00001455524B30B3 Unknown Unknown Unknown
> lapw1 0000000000404B4C Unknown Unknown Unknown
> lapw1 000000000042F221 MAIN__ 61
> lapw1_tmp_.F
> lapw1 000000000040CCB5 calkpt_ 171
> calkpt_tmp_.F
> lapw1 0000000000425769 hns_ 613
> hns_tmp_.F
> lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f
> libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown
> libmkl_core.so 0000145552BF467C Unknown Unknown Unknown
> libmkl_def.so 00001455506D41E9 Unknown Unknown Unknown
> libmkl_def.so 00001455506D91C3 Unknown Unknown Unknown
> libmkl_def.so 00001455506BEC72 Unknown Unknown Unknown
> Image PC Routine Line Source
> forrtl: severe (168): Program Exception - illegal instruction
> lapw1 0000000000404A4E Unknown Unknown Unknown
> libc.so.6 00001455524B30B3 Unknown Unknown Unknown
> lapw1 0000000000404B4C Unknown Unknown Unknown
> lapw1 000000000042F221 MAIN__ 61
> lapw1_tmp_.F
> lapw1 000000000040CCB5 calkpt_ 171
> calkpt_tmp_.F
> lapw1 0000000000425769 hns_ 613
> hns_tmp_.F
> lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f
> libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown
> libmkl_core.so 0000145552BF467C Unknown Unknown Unknown
> libmkl_def.so 00001455507051E9 Unknown Unknown Unknown
> libmkl_def.so 000014555070A1C3 Unknown Unknown Unknown
> libmkl_def.so 00001455506EFC72 Unknown Unknown Unknown
> Image PC Routine Line Source
> forrtl: severe (168): Program Exception - illegal instruction
> lapw1 0000000000404A4E Unknown Unknown Unknown
> libc.so.6 00001455524B30B3 Unknown Unknown Unknown
> lapw1 0000000000404B4C Unknown Unknown Unknown
> lapw1 000000000042F221 MAIN__ 61
> lapw1_tmp_.F
> lapw1 000000000040CCB5 calkpt_ 171
> calkpt_tmp_.F
> lapw1 0000000000425769 hns_ 613
> hns_tmp_.F
> lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f
> libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown
> libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown
> libmkl_core.so 0000145552BF467C Unknown Unknown Unknown
> libmkl_def.so 00001455506FA1E9 Unknown Unknown Unknown
> libmkl_def.so 00001455506FF1C3 Unknown Unknown Unknown
> libmkl_def.so 00001455506E4C72 Unknown Unknown Unknown
> Image PC Routine Line Source
> forrtl: severe (168): Program Exception - illegal instruction
> Force-convergence not possible. Forces not present.
> LAPW0 END
> hup: Command not found.
>
> I was wondering if you could help me solving the problem or let me know
> which file I should search for the type of error.
> Thanks in advance.
>
> Regards,
> Mohaddeseh
>
> Mohaddeseh Abbasnejad,
> Assistant Professor of Physics,
> Faculty of Physics,
> Shahid Bahonar University of Kerman,
> Kerman, Iran
> P.O. Box 76169-133
> Tel: +98 34 31322199
> Fax: +98 34 33257434
> Cellphone: +98 917 731 7514
> E-Mail: m.abbasnejad at gmail.com <mailto:m.abbasnejad at gmail.com>
> Website: academicstaff.uk.ac.ir/moabbasnejad
> <http://academicstaff.uk.ac.ir/moabbasnejad>
>
> On Fri, Apr 24, 2020 at 7:40 PM Laurence Marks <laurence.marks at gmail.com
> <mailto:laurence.marks at gmail.com>> wrote:
>
> This type of problem has been reported many times before. While
> there is always the possibility that it is something in the mixer,
> in 99.9999% of cases it occurs because some other program/step in
> the scf iteration has failed. There are multiple possibilities:
> a) Something went wrong in lapw2, e.g. ghostbands
> b) Something went wrong in lapw1, e.g. no linearization energies found
> c) Something went wrong in lcore
> d) The case was run in a "dirty" directory, with case.*broyd* files
> left over from another run.
>
> Save the run, and re-initialize cleanly accepting all defaults then
> try again.
>
> On Fri, Apr 24, 2020 at 4:20 AM Mohad Abbasnejad
> <mohaddeseh.abbasnejad at gmail.com
> <mailto:mohaddeseh.abbasnejad at gmail.com>> wrote:
>
> Dear experts,
>
> Hello every one.
> Recently, I have installed WIEN2k_19 on my system using intel
> ifort compiler 2013.5.192 and mkl. The program is compiled with
> the suggested compiler options.
> After running the scf calculations, I receive the following
> error in cycle 5 without any file describing the error.
> The following is what I got when the program is stopped.
>
> > stop error
>
> error: command /opt/install/WIEN2k_19.1/mixer mixer.def failed
> 0.0u 0.0s 0:00.55 10.9% 0+0k 1792+1560io 1pf+0w
> > mixer (04:56:54) Segmentation fault (core dumped)
> > lcore (04:56:54) 0.0u 0.0s 0:00.02 100.0% 0+0k 0+1008io 0pf+0w
>
> Any help would be appreciated.
>
> Regards,
> Mohaddeseh
>
> Mohaddeseh Abbasnejad,
> Assistant Professor of Physics,
> Faculty of Physics,
> Shahid Bahonar University of Kerman,
> Kerman, Iran
> P.O. Box 76169-133
> Tel: +98 34 31322199
> Fax: +98 34 33257434
> Cellphone: +98 917 731 7514
> E-Mail: m.abbasnejad at gmail.com <mailto:m.abbasnejad at gmail.com>
> Website: academicstaff.uk.ac.ir/moabbasnejad
> <https://urldefense.com/v3/__http://academicstaff.uk.ac.ir/moabbasnejad__;!!Dq0X2DkFhyF93HkjWTBQKhk!D3MRCkXjkXn9qoYtLfm2fNyZgEbrCf-orr33a9fSMt_Ne7ihdpjSIIVs7NXrdAbnhMTQiA$>
>
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> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu <http://www.numis.northwestern.edu/>
> Corrosion in 4D: www.numis.northwestern.edu/MURI
> <http://www.numis.northwestern.edu/MURI>
> Co-Editor, Acta Cryst A
> "Research is to see what everybody else has seen, and to think what
> nobody else has thought"
> Albert Szent-Gyorgi
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