[Wien] Fwd: Help Request for making WIEN2K (ver18.2) programs executable.

[tran at theochem.tuwien.ac.at]

Your compilation options
make ./lapw0 FORT=gfortran FFLAGS=' -ffree-form -O2 -ffree-line-length-none -DLIBXC -I/usr/include '
indicate that libxc should be installed in /usr/
Is it really the case? If not, you have to indicate in Makefile
the path (variable LIBXCROOT) where libxc is located.

FT

On Tuesday 2018-10-23 06:57, Ashwani Kumar wrote:

>Date: Tue, 23 Oct 2018 06:57:45
>From: Ashwani Kumar <ashwani.ism at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: [Wien] Fwd: Help Request for making WIEN2K (ver18.2) programs
>    executable.
>
>Mr. Pavel, i have just noted down your point (and will imply once i start using WIEN2K and gets more comfortable with the code). SPEED MATTERS A LOT.
>Thanks Mr. Gavin. Earlier issue solved.  Now lapw0 and lapw2 not executable which i doubt is due to LIBXC (or may not). Your previous reply indicated not to use LIBXC. I re-installed everything
>fresh but LIBXC setting remains there. please find the compile errors:
>Compiling All Program: ******************************************
>
>Compile time errors (if any) were:
>
>SRC_lapw0/compile.msg:Fatal Error: Can't open module file ‘xc_f03_lib_m.mod’ for reading at (1): No such file or directory
>
>SRC_lapw0/compile.msg:make[1]: *** [Makefile:170: inputpars.o] Error 1
>
>SRC_lapw0/compile.msg:make: *** [Makefile:119: seq] Error 2
>
>
>Check file compile.msg in the corresponding SRC_* directory for the
>
>compilation log and more info on any compilation problem.
>
>**********************************************************************************************************
>
>Compiling lapw0 alone : ******************************************************************************
>
>RC_lapw0 ...
>
>if [ -f .parallel ]; then \
>
>rm -f .parallel modules.o W2kinit.o fft_modules.o reallocate.o energy.o getff1.o getfft.o gtfnam.o lapw0.o outerr.o rean0.o rean3.o rean4.o setff1.o setff2.o setfft.o xcpot1.o xcpot3.o eramps.o
>*.mod; \
>
>fi
>
>touch .sequential
>
>make ./lapw0 FORT=gfortran FFLAGS=' -ffree-form -O2 -ffree-line-length-none -DLIBXC -I/usr/include '
>
>make[1]: Entering directory '/home/hardy/WIEN2K/SRC_lapw0'
>
>make[1]: Circular pwxad4.o <- pwxad4.o dependency dropped.
>
>gfortran -ffree-form -O2 -ffree-line-length-none -DLIBXC -I/usr/include -c inputpars.F
>
>inputpars.F:6:10:
>
>use xc_f03_lib_m
>
>1
>
>Fatal Error: Can't open module file ‘xc_f03_lib_m.mod’ for reading at (1): No such file or directory
>
>compilation terminated.
>
>make[1]: *** [Makefile:170: inputpars.o] Error 1
>
>make[1]: Leaving directory '/home/hardy/WIEN2K/SRC_lapw0'
>
>make: *** [Makefile:119: seq] Error 2
>
>make: *** No rule to make target 'complex'. Stop.
>
>Copying programs
>
>WARNING: no executable found in SRC_lapw0. Check compile.msg in this directory
>
>done.
>
>Compile time errors (if any) were:
>
>SRC_lapw0/compile.msg:Fatal Error: Can't open module file ‘xc_f03_lib_m.mod’ for reading at (1): No such file or directory
>
>SRC_lapw0/compile.msg:make[1]: *** [Makefile:170: inputpars.o] Error 1
>
>SRC_lapw0/compile.msg:make: *** [Makefile:119: seq] Error 2
>
>**************************************************************************************************************
>
>init_lapw is executing succesfully while run_lapw shows error ***************
>
>/home/hardy/WIEN2K/lapw0: Command not found.
>grep: lapw2*.error: No such file or directory
>
>>   stop error
>
>************************************************************************************************
>
>thanking you,
>
>A. Kumar
>
>
>
>
>