[Wien] Error while doing AFM calculation
413119008 at nitt.edu
413119008 at nitt.edu
Thu Sep 30 09:33:25 CEST 2021
Respected sir,
while compiling Wien2k 21.1 i am getting the
following errors after compiliation.
SRC_dstart/compile.msg:f95: error: unrecognized command line option
‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
SRC_dstart/compile.msg:make[1]: *** [Makefile:139: module.o] Error 1
SRC_dstart/compile.msg:make: *** [Makefile:93: para] Error 2
SRC_hf/compile.msg:f95: error: unrecognized command line option
‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
SRC_hf/compile.msg:make[1]: *** [Makefile:281: modules.o] Error 1
SRC_hf/compile.msg:make: *** [Makefile:189: rp] Error 2
SRC_hf/compile.msg:f95: error: unrecognized command line option
‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
SRC_hf/compile.msg:make[1]: *** [Makefile:281: modules.o] Error 1
SRC_hf/compile.msg:make: *** [Makefile:193: cp] Error 2
SRC_lapw0/compile.msg:f95: error: unrecognized command line option
‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
SRC_lapw0/compile.msg:make[1]: *** [Makefile:171: modules.o] Error 1
SRC_lapw0/compile.msg:make: *** [Makefile:124: para] Error 2
SRC_lapw1/compile.msg:f95: error: unrecognized command line option
‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
SRC_lapw1/compile.msg:make[1]: *** [Makefile:270: modules.o] Error 1
SRC_lapw1/compile.msg:make: *** [Makefile:178: rp] Error 2
SRC_lapw1/compile.msg:f95: error: unrecognized command line option
‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
SRC_lapw1/compile.msg:make[1]: *** [Makefile:270: modules.o] Error 1
SRC_lapw1/compile.msg:make: *** [Makefile:182: cp] Error 2
SRC_lapw2/compile.msg:f95: error: unrecognized command line option
‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
SRC_lapw2/compile.msg:make[1]: *** [Makefile:259: modules.o] Error 1
SRC_lapw2/compile.msg:make: *** [Makefile:166: rp] Error 2
SRC_lapw2/compile.msg:f95: error: unrecognized command line option
‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
SRC_lapw2/compile.msg:make[1]: *** [Makefile:259: modules.o] Error 1
SRC_lapw2/compile.msg:make: *** [Makefile:170: cp] Error 2
SRC_lapwso/compile.msg:f95: error: unrecognized command line option
‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
SRC_lapwso/compile.msg:make[1]: *** [Makefile:152: reallocate.o] Error 1
SRC_lapwso/compile.msg:make: *** [Makefile:116: para] Error 2
SRC_nlvdw/compile.msg:f95: error: unrecognized command line option
‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
SRC_nlvdw/compile.msg:make[1]: *** [Makefile:159: modules.o] Error 1
SRC_nlvdw/compile.msg:make: *** [Makefile:113: para] Error 2
SRC_nmr/compile.msg:f95: error: unrecognized command line option
‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
SRC_nmr/compile.msg:make[1]: *** [Makefile:263: modules.o] Error 1
SRC_nmr/compile.msg:make: *** [Makefile:171: rp] Error 2
SRC_nmr/compile.msg:f95: error: unrecognized command line option
‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?
SRC_nmr/compile.msg:make[1]: *** [Makefile:263: modules.o] Error 1
SRC_nmr/compile.msg:make: *** [Makefile:175: cp] Error 2
Quoting Laurence Marks <laurence.marks at gmail.com>:
> http://www.wien2k.at/reg_user/wien2k_download
>
> On Wed, Sep 22, 2021 at 10:13 PM <413119008 at nitt.edu> wrote:
>>
>> Yes sir.
>>
>> Quoting Laurence Marks <laurence.marks at gmail.com>:
>>
>> > Do you have a licence?
>> >
>> > On Wed, Sep 22, 2021 at 1:09 PM <413119008 at nitt.edu> wrote:
>> >>
>> >> Let me try sir.So to do AFM calculation may i have to install wien2k
>> >> 21.If so how to do?
>> >> Thanking u in advance
>> >>
>> >> Quoting Laurence Marks <laurence.marks at gmail.com>:
>> >>
>> >> > We might be confusing this.
>> >> >
>> >> > My suggestion: do a standard ferromagnetic calculation of the
>> conventional
>> >> > cell. Straight PBE for this and AFM will be horribly wrong for the 4f
>> >> > (metallic), but will give you a starting point. You will have
>> to learn how
>> >> > to use -eece or +U
>> >> >
>> >> > _____
>> >> > Professor Laurence Marks
>> >> > "Research is to see what everybody else has seen, and to think
>> what nobody
>> >> > else has thought", Albert Szent-Györgyi
>> >> > http://www.numis.northwestern.edu
>> >> >
>> >> > On Thu, Sep 16, 2021, 07:29 Gavin Abo <gabo13279 at gmail.com> wrote:
>> >> >
>> >> >> Correction below as some text was missing.
>> >> >>
>> >> >> If I recall correctly, WIEN2k 19.1 had a bug that effected R lattices
>> >> >> (thus your R-3m might be effected by it).
>> >> >>
>> >> >> The fix might have been the
>> >> >>
>> >> >> SRC_lapw1: coors.f
>> >> >>
>> >> >> seen under VERSION_21: 10.4.2021 on the updates page:
>> >> >>
>> >> >>
>> >>
>> https://urldefense.com/v3/__http://susi.theochem.tuwien.ac.at/reg_user/updates/__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUri47aq2cHkYhH6_hmGCYua30UkurRUrrJ5PpDGKbg8LFgLuTct4aEFok6skd-8LhEvGw$
>> >> >>
>> >>
>> <https://urldefense.com/v3/__http://susi.theochem.tuwien.ac.at/reg_user/updates/__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUFT-CnM9rHJur0G9LlHG23AcX9PQzd4QHjZTpaaxzDLu8VOcs1Idq24B-ri7dYrOSnhJw$>
>> >> >>
>> >> >> If you are using gfortran to compile WIEN2k, I also have the
>> nn patch for
>> >> >> WIEN2k 21.1 at:
>> >> >>
>> >> >>
>> >>
>> https://urldefense.com/v3/__https://github.com/gsabo/WIEN2k-Patches/tree/master/21.1__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUri47aq2cHkYhH6_hmGCYua30UkurRUrrJ5PpDGKbg8LFgLuTct4aEFok6skd8jiMmTMw$
>> >> >>
>> >>
>> <https://urldefense.com/v3/__https://github.com/gsabo/WIEN2k-Patches/tree/master/21.1__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUFT-CnM9rHJur0G9LlHG23AcX9PQzd4QHjZTpaaxzDLu8VOcs1Idq24B-ri7dZzk9K64A$>
>> >> >>
>> >> >> A read your P1 struct file ran fine with WIEN2k 21.1:
>> >> >>
>> >> >>
>> >>
>> https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21334.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUri47aq2cHkYhH6_hmGCYua30UkurRUrrJ5PpDGKbg8LFgLuTct4aEFok6skd-f5icwzA$
>> >> >>
>> >>
>> <https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21334.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUFT-CnM9rHJur0G9LlHG23AcX9PQzd4QHjZTpaaxzDLu8VOcs1Idq24B-ri7dZxBCLGkQ$>
>> >> >>
>> >> >> So you will probably want to try the newer 21.1 version. If the error
>> >> >> still happens in 21.1 and it is not from a setup issue (case.struct or
>> >> >> init_lapw) then perhaps it could be caused by computer hardware
>> >> differences
>> >> >> (e.g., RAM, storage space, etc.) or a compiler difference.
>> Some of the
>> >> >> older ifort versions of Parallel Studio compilers caused data issues
>> >> >> because of a memory leak [1] or I/O problems [2].
>> >> >>
>> >> >> I haven't heard any issues from WIEN2k compiled with ifort versions of
>> >> >> oneAPI but have not used it myself as I have been using gfortran.
>> >> >>
>> >> >> [1]
>> >> >>
>> >>
>> https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19050.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUri47aq2cHkYhH6_hmGCYua30UkurRUrrJ5PpDGKbg8LFgLuTct4aEFok6skd_IzetBSw$
>> >> >>
>> >>
>> <https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19050.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUFT-CnM9rHJur0G9LlHG23AcX9PQzd4QHjZTpaaxzDLu8VOcs1Idq24B-ri7dbowohj1g$>
>> >> >> [2]
>> >> >>
>> >>
>> https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16588.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUri47aq2cHkYhH6_hmGCYua30UkurRUrrJ5PpDGKbg8LFgLuTct4aEFok6skd__aAvR2g$
>> >> >>
>> >>
>> <https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16588.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUFT-CnM9rHJur0G9LlHG23AcX9PQzd4QHjZTpaaxzDLu8VOcs1Idq24B-ri7dYj-2S8qg$>
>> >> >>
>> >> >> _______________________________________________
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>> >> >>
>> >> >>
>> >>
>> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUFT-CnM9rHJur0G9LlHG23AcX9PQzd4QHjZTpaaxzDLu8VOcs1Idq24B-ri7dZZDT5JUQ$
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>> >> >>
>> >>
>> >>
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>> >>
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>> >
>> >
>> >
>> > --
>> > Professor Laurence Marks
>> > Department of Materials Science and Engineering
>> > Northwestern University
>> > http://www.numis.northwestern.edu
>> > "Research is to see what everybody else has seen, and to think what
>> > nobody else has thought" Albert Szent-Györgyi
>> > _______________________________________________
>> > Wien mailing list
>> > Wien at zeus.theochem.tuwien.ac.at
>> >
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>> > SEARCH the MAILING-LIST at:
>> >
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>>
>>
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>
>
>
> --
> Professor Laurence Marks
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu
> "Research is to see what everybody else has seen, and to think what
> nobody else has thought" Albert Szent-Györgyi
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
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