[Wien] Compiling error

[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

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20251009/d25e446b/attachment.htm>