[Wien] the use of ! in the code of lapw1
Robert Laskowski
rolask at theochem.tuwien.ac.at
Tue Feb 10 10:34:03 CET 2009
hi,
All !_COMPLEX or !_REAL are used to preprocess the real or complex version of the code,
and it is like home made preprocressing. Look at the Makefile.
At the current state this way is mixed with normal preprocessor flags such like
#ifndef Parallel ... This part of code was present in the early version of the WIEN, when
the standart preprocessing was not available in fortran.
It simply works, by removing !_REAL from the source code for the real version, and
!_COMPLEX for the complex version, activating proper parts of the source.
regards
Robert
On Tuesday 10 February 2009 09:25:29 Wenmei wrote:
> Dear users,
>
> I am very confused with some code from /SRC/lapw1.
> In the file of seclr4.F, there is code like the following
> ==============================================
> #ifndef Parallel
> !_COMPLEX DO J = 1, NVAA+NLO
> !_COMPLEX DO I = 1, NVAA+NLO
> !_COMPLEX HS(I,J) = DCONJG(HS(I,J))
> !_COMPLEX END DO
> !_COMPLEX HSDIAG(J) = DCONJG(HSDIAG(J))
> !_COMPLEX END DO
> #endif
> ===============================================
> Also, there is code in the file as:
> ===============================================
> #ifdef Parallel
> if(deschs(2).gt.0) then
> !_REAL CALL PDPOTRF('U',NVAA+NLO,S,1,1,DESCHS,INFO)
> !_COMPLEX CALL PZPOTRF('U',NVAA+NLO,S,1,1,DESCHS,INFO)
> end if
> #else
> !_REAL CALL DPOTRF('U',NVAA+NLO,HS,HSROWS,INFO)
> !_COMPLEX CALL ZPOTRF('U',NVAA+NLO,HS,HSROWS,INFO)
> #endif
> ========================================================
> In Fortran, ! comments the content of the line it stands
> However, here the ! in !_COMPLEX-like seems not to comment the code in the corresponding line
>
>
> Any suggestion is appreciated
> Thanks
>
> Wenmei Ming
>
>
>
>
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--
Dr Robert Laskowski
Vienna University of Technology,
Institute of Materials Chemistry,
Getreidemarkt 9/165-TC, A-1060 Vienna
tel. +43 1 58801 15686
Fax +43 1 58801 15698
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