[Wien] WIENncm installation error

Sat Nov 18 21:29:02 CET 2023

Dear Sir,

              I am trying to do  a testrun for the example febcc but
getting the following errors. The compilation was okay. After the
compilation I have done ./userconfig_lapw. But it is adding the paths for
WIEN2k in bashrc file. Sir there is no userconfig_lapw in WEINncm
directory. Then how will I add the executables of the WIENncm in the bashrc
file?
..................................................................................................................................
Errror
(base) [19ph92r03 at login06 febcc]$ runncm
runncm with  /scratch/19ph92r03/safikul/WIENNCM/WIENNCM
in cycle 1    ETEST: 0   CTEST: 0
/scratch/19ph92r03/safikul/WIENNCM/WIENNCM/lapw0: Command not found.
/scratch/19ph92r03/safikul/WIENNCM/WIENNCM/lapw1c: Command not found.
/scratch/19ph92r03/safikul/WIENNCM/WIENNCM/lapw2c: Command not found.
CORE - Error
...................................................................................................................................

             Sir I eanestly request  you to please help me to sort out this
issue.

Kind Regards,
Safikul Islam

On Sat, Nov 18, 2023 at 12:50 AM Safikul Islam <
safikul.physics1996 at gmail.com> wrote:

> Dear  Professor Peter Blaha,
>
> The compilation is successful. I will try to recalculate for the given
> examples. I want to thank you so much for your kindness and your great
> assistance.
>
> Kind Regards,
> Safikul Islam
>
>
>
>
> On Fri, Nov 17, 2023 at 10:31 PM Safikul Islam <
> safikul.physics1996 at gmail.com> wrote:
>
>> Dear  Professor Peter Blaha,
>>
>>                I followed your suggestion. I have adopted all the
>> libraries and Makefiles from the WIEN2k installation directory.  Now the
>> errors have been reduced. Only one error is coming.
>>
>> ..............................................................................................................................
>> Error:
>> Compile time errors (if any) were:
>> SRC_dstart/compile.msg:ifort: error #10236: File not found:  'cputim.o'
>> SRC_dstart/compile.msg:make: *** [dstart] Error 1
>>
>> ..............................................................................................................................
>>
>>
>>               Sir please help me to resolve this issue.
>>
>> Kind Regards,
>> Safikul Islam
>>
>>
>>
>>
>> On Fri, Nov 17, 2023 at 8:19 PM Safikul Islam <
>> safikul.physics1996 at gmail.com> wrote:
>>
>>> Dear Professor Peter Blaha,
>>>
>>> You are right. The path of ifortran compiler was not adjusted properly
>>> in the bashrc  file. After giving the proper path of ifortran compiler I am
>>> getting the following errors during compilation of the WIENncm software. I
>>> have pasted the error of the compile.msg file of the SRC_displacement
>>> folder.
>>>
>>> .................................................................................................................................................................
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>> *Compile time errors (if any) were:SRC_displacement/compile.msg:make:
>>> *** [displacement] Error 1SRC_dstart/compile.msg:ifort: error #10236: File
>>> not found:  'cputim.o'SRC_dstart/compile.msg:make: *** [dstart] Error
>>> 1SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error
>>> 1SRC_lapw0/compile.msg:make: *** [seq] Error
>>> 2SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error
>>> 1SRC_lapw1/compile.msg:make: *** [complex] Error
>>> 2SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error
>>> 1SRC_lapw2/compile.msg:make: *** [complex] Error
>>> 2SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error
>>> 1SRC_lapwdm/compile.msg:make: *** [complex] Error
>>> 2SRC_mixer/compile.msg:make: *** [mixer] Error
>>> 1SRC_mixer_old/compile.msg:make: *** [mixer] Error
>>> 1SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1*
>>>
>>> ....................................................................................................................................................................
>>>
>>> *SRC_displacement/compile.msg error*
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>> *ifort -o ./displacement module.o gtfnam.o errflg.o errclr.o outerr.o
>>> displacement.o determinant.o euler.o inversa.o make_point_groups.o
>>> find_displacement.o lapack.o lapack2.o -L../SRC_lib
>>> -L/opt/intel/mkl60/lib/32 -Vaxlib -static -lmkl_lapack -lmkl_p4 -lguide
>>> -lpthreadifort: command line remark #10010: option '-Vaxlib' is deprecated
>>> and will be removed in a future release. See '-help deprecated'ld: cannot
>>> find -lmkl_lapackld: cannot find -lmkl_p4ld: cannot find
>>> -lguide/usr/lib/../lib64/libpthread.a(libpthread.o): In function
>>> `sem_open':(.text+0x77cd): warning: the use of `mktemp' is dangerous,
>>> better use `mkstemp'make: *** [displacement] Error 1*
>>>
>>> *..........................................................................................................................................................................*
>>>
>>>
>>> Sir, how should I proceed now? I kindly request you to please help me to
>>> sort out this problem.
>>>
>>> Kind Regards,
>>> Safikul Islam
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>> On Fri, Nov 17, 2023 at 1:28 PM Safikul Islam <
>>> safikul.physics1996 at gmail.com> wrote:
>>>
>>>> Dear Wien2k  users and developers,
>>>>
>>>>   I am trying to install WIENncm  using ifortran compiler version
>>>> 18.0.0. But I am getting many errors. The error has been attached with this
>>>> mail. I have looked into the previous messages regarding the
>>>> installation of WIENncm. It has been suggested that WIENncm is compatible
>>>> with ifortran compiler version 11.xxx. But right now I am unable to change
>>>> ifortran compiler version from 18.0.0 to ifortran 11.xxx. Could anyone
>>>> suggest to me how I will install WIENncm using ifortran 18.0.0? If anyone
>>>> has installed it by changing the makefiles I am requesting you to please
>>>> help me regarding this issue. I will remain thankful to you.
>>>>
>>>>  Kind Regards,
>>>> *SAFIKUL ISLAM*
>>>> [Ph.D Research Scholar]
>>>> ---------------------------------------------------
>>>> Department of Physics.
>>>> Indian Institute of Technology,
>>>> Kharagpur.
>>>> West Bengal, India.
>>>> *Pin Code*:- 721302.
>>>> ---------------------------------------------------
>>>> *Contact*:- 9832979985
>>>>
>>>>
>>>
>>> --
>>> *SAFIKUL ISLAM*
>>> [Ph.D Research Scholar]
>>> ---------------------------------------------------
>>> Department of Physics.
>>> Indian Institute of Technology,
>>> Kharagpur.
>>> West Bengal, India.
>>> *Pin Code*:- 721302.
>>> ---------------------------------------------------
>>> *Contact*:- 9832979985
>>>
>>
>>
>> --
>> *SAFIKUL ISLAM*
>> [Ph.D Research Scholar]
>> ---------------------------------------------------
>> Department of Physics.
>> Indian Institute of Technology,
>> Kharagpur.
>> West Bengal, India.
>> *Pin Code*:- 721302.
>> ---------------------------------------------------
>> *Contact*:- 9832979985
>>
>
>
> --
> *SAFIKUL ISLAM*
> [Ph.D Research Scholar]
> ---------------------------------------------------
> Department of Physics.
> Indian Institute of Technology,
> Kharagpur.
> West Bengal, India.
> *Pin Code*:- 721302.
> ---------------------------------------------------
> *Contact*:- 9832979985
>

-- 
*SAFIKUL ISLAM*
[Ph.D Research Scholar]
---------------------------------------------------
Department of Physics.
Indian Institute of Technology,
Kharagpur.
West Bengal, India.
*Pin Code*:- 721302.
---------------------------------------------------
*Contact*:- 9832979985
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