[Wien] Compiling error
Gavin Abo
gabo13279 at gmail.com
Fri Oct 10 04:33:29 CEST 2025
If you run the following commands and let us know what you get as
outputs, it might help with troubleshooting the issue. The outputs I
get on my system are shown for reference.
username at computername:~$ cd ~
username at computername:~$ which siteconfig_lapw
/home/username/WIEN2k/siteconfig_lapw
username at computername:~$ echo $WIENROOT
/home/username/WIEN2k
username at computername:~$ ls -al $WIENROOT/SRC_dstart/dstart_mpi
-rwxrwxr-x 1 username username 1316048 Oct 9 20:18
/home/username/WIEN2k/SRC_dstart/dstart_mpi
username at computername:~$ ls -al $WIENROOT/dstart_mpi
-rwxrwxr-x 1 username username 1316048 Oct 9 20:18
/home/username/WIEN2k/dstart_mpi
Kind Regards,
Gavin
WIEN2k user
On 10/9/2025 11:25 AM, delamora wrote:
> Thank you Dr. Blaha,
> Yes, you're right, actually I got two error
>
> 1:
> cp: no se puede crear el fichero regular
> '/home/pablo/Descargas/Temp/WIEN2K/lapw5': Permiso denegado => the
> regular file cannot be created ... permit denied
> SRC_lapw5/lapw5c
> cp: no se puede crear el fichero regular 'lapw5c': Permiso denegado
>
> 2:
> cp: no se puede crear el fichero regular
> '/home/pablo/Descargas/Temp/WIEN2K/dstart': Permiso denegado
> SRC_dstart/dstart_mpi
> cp: no se puede crear el fichero regular 'dstart_mpi': Permiso denegado
>
> I don't understand why I get; 'permit denied' if I have all privileges
> (I run ./siteconfig_lapw in my working directory)
> ------------------------------------------------------------------------
> *De:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de
> Peter Blaha <peter.blaha at tuwien.ac.at>
> *Enviado:* jueves, 9 de octubre de 2025 01:36 a. m.
> *Para:* wien at zeus.theochem.tuwien.ac.at <wien at zeus.theochem.tuwien.ac.at>
> *Asunto:* Re: [Wien] Compiling error
> Your dstart has not been compiled correctly. Check compile.msg (if you
> have used siteconfig).
>
> Am 09.10.2025 um 06:37 schrieb delamora:
> > Dear Gavin,
> > I just corrected errors inside some files (manually), after compiling
> > with ./siteconfig
> > I did not get any errors
> >
> > Then I started the calculation of Na, and the "inicialize" went fine
> > then I put "run" in the terminal and I got the message;
> >
> > no Na.clmsum(_old) file found, which is necessary for lapw0
> >
> > So I could not run Na
> >
> > Saludos
> >
> > Pablo
> > ------------------------------------------------------------------------
> > I sent this message to the wrong address
> > *Para:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at>
> >
> > Dear Gavin,
> > Thank for your answer, but I still have the problem;
> >
> > after
> > run ./siteconfig_lapw
> > I selected Compiler options and I typed -O0 -FR -mp1 -w -prec_div -
> > pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/
> > include
> > the Compile/Recompile and All
> > the outcome is as follow
> > inside:
> >
> > SRC_dstart
> > make[1]: se entra en el directorio
> '/home/pablo/Descargas/WIEN2k/SRC_dstart'
> > mpiifx -O0 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> -traceback -
> > assume buffered_io -I(MKLROOT)/include -DParallel -c module.F
> > /bin/sh: -c: línea 1: error sintáctico cerca del elemento inesperado `('
> >
> > SRC_hf
> > make[1]: se entra en el directorio '/home/pablo/Descargas/WIEN2k/SRC_hf'
> > modules.F: COMPLEX version extracted
> > mpiifx -O0 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> -traceback -
> > assume buffered_io -I-DFFTW3 -I/home/pablo/Descargas/fftw/include
> > (MKLROOT)/include -DParallel -c modules_tmp_.F
> > /bin/sh: -c: línea 1: error sintáctico cerca del elemento inesperado `('
> > /bin/sh: -c: línea 1: `mpiifx -O0 -FR -mp1 -w -prec_div -pc80 -pad
> -ip -
> > DINTEL_VML -traceback -assume buffered_io -I-DFFTW3 -I/home/pablo/
> > Descargas/fftw/include (MKLROOT)/include -DParal
> > lel -c modules_tmp_.F'
> >
> > the same with
> >
> > SRC_lapw1
> >
> > SRC_lapw2
> >
> > SRC_lapwso
> >
> > SRC_nlvdw
> >
> > ------------------
> > Saludos
> >
> > Pablo
> >
> > -----------------------
> >
> > *De:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Gavin
> > Abo <gabo13279 at gmail.com>
> > *Enviado:* viernes, 3 de octubre de 2025 12:19 p. m.
> > *Para:* wien at zeus.theochem.tuwien.ac.at
> <wien at zeus.theochem.tuwien.ac.at>
> > *Asunto:* Re: [Wien] Compiling error
> >
> > The $ looks like it is missing in your compile options, where you have:
> >
> >
> > -I(MKLROOT)/include
> >
> >
> > It should be:
> >
> >
> > -I$(MKLROOT)/include
> >
> >
> > Kind Regards,
> >
> > Gavin
> >
> > WIEN2k user
> >
> >
> > On 10/3/2025 12:09 PM, delamora wrote:
> >
> > I just updated my OS I moved to fedora 42
> > I installed intel compiler suite 2025.2.1
> > I applied the patches https://github.com/gsabo/WIEN2k-Patches/tree/
> > master/24.1
> <https://github.com/gsabo/WIEN2k-Patches/tree/master/24.1>
> >
> > after finish ./siteconfig_lapaw
> >
> > I got this message in SRC_dstart/compile.msg
> >
> > FORT=mpiifx FFLAGS=' -O0 -FR -mp1 -w -prec_div -pc80 -pad -ip -
> > DINTEL_VML -traceback -assume buffered_io -I(MKLROOT)/include '-
> > DParallel''
> > make[1]: se entra en el directorio '/home/pablo/Descargas/WIEN2k/
> > SRC_dstart'
> > mpiifx -O0 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -
> > traceback -assume buffered_io -I(MKLROOT)/include -DParallel -c
> module.F
> > /bin/sh: -c: línea 1: error sintáctico cerca del elemento
> inesperado `('
> > /bin/sh: -c: línea 1: `mpiifx -O0 -FR -mp1 -w -prec_div -pc80 -pad -
> > ip -DINTEL_VML -traceback -assume buffered_io -I(MKLROOT)/include -
> > DParallel -c module.F'
> > make[1]: *** [Makefile:139: module.o] Error 2
> > make[1]: se sale del directorio '/home/pablo/Descargas/WIEN2k/
> > SRC_dstart'
> > make: *** [Makefile:93: para] Error 2
> >
> > Saludos
> >
> > Pablo
> >
> >
> > _______________________________________________
> > 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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>
> --
> -----------------------------------------------------------------------
> Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Email: peter.blaha at tuwien.ac.at
> WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
> -------------------------------------------------------------------------
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