[Wien] Error while doing AFM calculation
Laurence Marks
laurence.marks at gmail.com
Thu Sep 30 10:19:02 CEST 2021
Please read your own email!
It is telling you that your compiler does not accept -fallow-argument-mismatch,
which you have included in your compile line option. You should:
1) Do a Google or similar search on -fallow-argument-mismatch to understand.
2) Do fg5 -- help or similar and read it to see what options your compiler
has.
3) Remove it from the options and see if that works.
Read! Learn!
--
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
On Thu, Sep 30, 2021, 2:34 AM <413119008 at nitt.edu> wrote:
>
> 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>:
>
> >
> https://urldefense.com/v3/__http://www.wien2k.at/reg_user/wien2k_download__;!!Dq0X2DkFhyF93HkjWTBQKhk!B4B4XC7G57tsF80tN_CoOfY3Li1mOlkehwimXcgZCOINot9rOUpzIoFBhrpwCx0Q8QCeLg$
> >
> > 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$
> >
> >> >> >>
> >> >> >> _______________________________________________
> >> >> >> Wien mailing list
> >> >> >> Wien at zeus.theochem.tuwien.ac.at
> >> >> >>
> >> >> >>
> >> >>
> >>
> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUFT-CnM9rHJur0G9LlHG23AcX9PQzd4QHjZTpaaxzDLu8VOcs1Idq24B-ri7dZZDT5JUQ$
> >> >> >> SEARCH the MAILING-LIST at:
> >> >> >>
> >> >>
> >>
> https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUFT-CnM9rHJur0G9LlHG23AcX9PQzd4QHjZTpaaxzDLu8VOcs1Idq24B-ri7daVfOWv3Q$
> >> >> >>
> >> >>
> >> >>
> >> >> _______________________________________________
> >> >> Wien mailing list
> >> >> Wien at zeus.theochem.tuwien.ac.at
> >> >>
> >>
> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!DUri47aq2cHkYhH6_hmGCYua30UkurRUrrJ5PpDGKbg8LFgLuTct4aEFok6skd9jiHAiHQ$
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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
> >> >
> >>
> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!EgxvH9DblD_qYIXdZePSqbqOeazZ4v4bJdB1rJt5P4t-Hxv-i8_dxAkyZW7JGKjudYbkFA$
> >> > SEARCH the MAILING-LIST at:
> >> >
> >>
> https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!EgxvH9DblD_qYIXdZePSqbqOeazZ4v4bJdB1rJt5P4t-Hxv-i8_dxAkyZW7JGKhhPVkGSA$
> >>
> >>
> >> _______________________________________________
> >> Wien mailing list
> >> Wien at zeus.theochem.tuwien.ac.at
> >>
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> >> SEARCH the MAILING-LIST at:
> >>
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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
> >
> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!B4B4XC7G57tsF80tN_CoOfY3Li1mOlkehwimXcgZCOINot9rOUpzIoFBhrpwCx1_yyRX1A$
> > SEARCH the MAILING-LIST at:
> >
> https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!B4B4XC7G57tsF80tN_CoOfY3Li1mOlkehwimXcgZCOINot9rOUpzIoFBhrpwCx3z4PNDIw$
>
>
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>
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