[Wien] error in mixer
Mohad Abbasnejad
mohaddeseh.abbasnejad at gmail.com
Fri Apr 24 19:24:14 CEST 2020
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
Website: academicstaff.uk.ac.ir/moabbasnejad
On Fri, Apr 24, 2020 at 7:40 PM Laurence Marks <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> 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
>> 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
> Corrosion in 4D: 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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