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@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.physics1...@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.physics1...@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.physics1...@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.physics1...@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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