[Wien] Serial installation of WIENNCM package: we need guru!

[Fecher, Gerhard]

I am not guru, not even Känguru
I just tested the compilation of dstart in the NCM Version of Wien2k,
  1)  it has no problem (it was freshly unzipped from the tar.gz, only the Makefile was changed to my compilersettings)
  2)  and cputim.c is correctly compiled to cputim.o.

I used ifort 11.1.080 and gcc 4.6.2

The NCM version is 0.8 (?) and my tar.gz  file has the date 07-05-2011 (maybe that's when I downloaded it)
do you have different version ?

Is your c++ compiler set correctly in the Makefile and in your environment ?
make will autmatically recognize that a C compiler is needed do translate cputim.c

The issue about module.o may cause a warning only, that might depend on the version of make.

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Lyudmila Dobysheva [lyuka17 at mail.ru]
Gesendet: Freitag, 11. September 2015 11:53
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Serial installation of WIENNCM package: we need guru!

Now I remember that case: I also could not make the compilation of this
program, and as it is only for making a starting density, I had simply
copied the dstart from wien2k to wienncm package. Now I looked into the
problem more attentively. There are the following lines in the Makefile:
#  Routines which can be compiled unmodified
OBJS1 = module.o errclr.o ...
#  Routines which may require preprocessing before compiling
PREOBJS = module.o
OBJS = $(PREOBJS) $(OBJS1)

So, you can see module.o appears twice in OBJS. I think the problem lies
here. I do not know why this preprocessing is here, but if you put the line
OBJS = $(OBJS1)
instead of the last one - the problem should be solved.

But I'd say we need a quick consultation from guru: is it safe?

Best wishes
   Lyudmila Dobysheva

09.09.2015 17:14, Bramhachari Khamari wrote:
 >>> I took the
 >>> 'cputim.o' file from wien2k directory (SRC_dstart) and put into
 >>> SRC_dstart of WIENNCM. After recompiling I got the following
 >>> message in compile.msg file
 >>> module.o: In function `param._':
 >>> module.f:(.text+0x0): multiple definition of `param._'
08.09.2015 17:14,  Lyudmila Dobysheva wrote:
>> Re: In some packages there were no this subroutine added, and I took it from
>> directories of WIEN2k. It is in many directories, search cputim*.
08.09.2015 17:14, Bramhachari Khamari wrote:
> I am not able  to install(serial installation) WIENNCM package
> There was no compilation error in the directories except in SRC_dstart.
> SRC_dstart/compile.msg:ifort: error #10236: File not found:  'cputim.o'
> SRC_dstart/compile.msg:make: *** [dstart] Error 1.

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