[Wien] Compiling error

[Peter Blaha]

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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