[Wien] Compiling error
delamora
delamora at unam.mx
Thu Oct 9 19:25:06 CEST 2025
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
>
>
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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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