[Wien] error in mixer
Mohad Abbasnejad
mohaddeseh.abbasnejad at gmail.com
Fri Apr 24 21:15:47 CEST 2020
Dear Prof. Laurence Marks,
I cleaned the contents of the folder totally and started reinitializing it
again via terminal (not graphically). Every thing was OK. However, when
I do scf calculation in serial mode, it is OK. But, after doing that in
parallel mode, I receive the following error:
hup: Command not found.
LAPW0 END
forrtl: severe (257): formatted I/O to unit open for unformatted transfers,
unit 71, file /home/hana/WIEN2k/test/test-19/test-19.nsh
Image PC Routine Line Source
lapw1 00000000004F53DE Unknown Unknown Unknown
lapw1 00000000004F3E76 Unknown Unknown Unknown
lapw1 00000000004AC5E2 Unknown Unknown Unknown
lapw1 000000000045E2AC Unknown Unknown Unknown
lapw1 000000000045D7CC Unknown Unknown Unknown
lapw1 000000000049E70B Unknown Unknown Unknown
lapw1 000000000040581B atpar_ 130
atpar_tmp_.F
lapw1 000000000042D3D9 inilpw_ 418 inilpw.f
lapw1 000000000042EF66 MAIN__ 42
lapw1_tmp_.F
lapw1 0000000000404B4C Unknown Unknown Unknown
libc.so.6 000014554D9420B3 Unknown Unknown Unknown
lapw1 0000000000404A4E Unknown Unknown Unknown
LAPW1 END
LAPW1 END
LAPW1 END
> stop error
Would you please guide me?
Thanks a lot.
Regards,
Mohaddeseh
On Fri, Apr 24, 2020 at 10:55 PM Laurence Marks <laurence.marks at gmail.com>
wrote:
> It stopped in lapw1. Reinitialize and try again, accepting all defaults.
> It may be that it was run with an old version, or something else was
> wrong.
>
> On Fri, Apr 24, 2020 at 12:25 PM Mohad Abbasnejad <
> mohaddeseh.abbasnejad at gmail.com> wrote:
>
>> 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
>>
>> 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
>> <https://urldefense.com/v3/__http://academicstaff.uk.ac.ir/moabbasnejad__;!!Dq0X2DkFhyF93HkjWTBQKhk!H1YFKYqxL7H5jPV-Py-h_qUS4Yyattmm4G809tUuP1Hnkqz4NloQsfbpHxiZ19cF4xLEOA$>
>>
>> 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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>>>>
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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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>>>
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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
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
--
---------------------------------------------------------
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
---------------------------------------------------------
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