[Wien] Compilation error in IRelast and lapwso

[Peter Blaha]

In SRC_IRelast/TWS.f change   REAL*16 to REAL*8

In C_fitdivELC.f  put a "!" in lines 52 and 57.

and in SRC_lapwso/modules.F   replace

!        INTEGER,allocatable :: rc_index(:,:,:)
         logical,allocatable :: rc_index(:,:,:)


> The following error occurs:
>
> Compile time errors (if any) were:
> SRC_IRelast/compile.msg:Error: Old-style type declaration REAL*16 not
> supported at (1)
> SRC_IRelast/compile.msg:make: *** [TWS.o] Error 1
> SRC_lapwso/compile.msg:Error: IF clause at (1) requires a scalar LOGICAL
> expression
> SRC_lapwso/compile.msg:make[1]: *** [modules.o] Error 1
> SRC_lapwso/compile.msg:make: *** [para] Error 2
>
> -----------------------------------------------------------------------
> For IRelast, the compile.msg reads:
> -------------------------------------------------------------------------
> ....
> Warning: C_fitdivELC.f:52: Illegal preprocessor directive
> Warning: C_fitdivELC.f:57: Illegal preprocessor directive
> .....
> gfortran -ffree-form -O2 -ffree-line-length-none -DFFTW3
> -I/usr/local/include -c TWS.f
> TWS.f:26.13:
>
>        real*16 Vm
>               1
> Error: Old-style type declaration REAL*16 not supported at (1)
> make: *** [TWS.o] Error 1
> -------------------------------------------------------------------------
> 1. I searched on the web saying that this may arise from the fact that
> gfortran does not support real kind 16. If I changed it to real*8, the
> error goes out. However, is it save to do so? Will the calculation
> result in a severe loss in precision? Are there any alternative way to
> overcome the problem without switching to another compiler?
> 2. The warning on "Illegal preprocessor directive" has not been reported
> in the end error msg when running ./siteconfig. Does it matters? (I saw
> quite a number of different kinds of "warning"s on the screen output,
> but they goes away so fast that I was not able to capture them)
>
> ------------------------------------------------------------------------
> For lapwso, the compile.msg
>
> mpif90 -ffree-form -O2 -m64 -ffree-line-length-none -DFFTW3
> -I/usr/local/include  -DParallel -c modules.F
> modules.F:566.20:
>
>             rc_index=.FALSE.
>                      1
> Warning: Extension: Conversion from LOGICAL(4) to INTEGER(4) at (1)
> modules.F:567.23:
>
>             rc_index_up=.FALSE.
>                         1
> Warning: Extension: Conversion from LOGICAL(4) to INTEGER(4) at (1)
> modules.F:568.23:
>
>             rc_index_dn=.FALSE.
>                         1
> Warning: Extension: Conversion from LOGICAL(4) to INTEGER(4) at (1)
> modules.F:576.47:
>
>                   rc_index(ipl_row,ipl_col,iei)=.TRUE.
>                                                 1
> Warning: Extension: Conversion from LOGICAL(4) to INTEGER(4) at (1)
> modules.F:577.47:
>
>                   rc_index(ipl_row,ipl_col,ief)=.TRUE.
>                                                 1
> Warning: Extension: Conversion from LOGICAL(4) to INTEGER(4) at (1)
> modules.F:590.24:
>
>                      if (rc_index(i,j,iei)) then
>                          1
> Error: IF clause at (1) requires a scalar LOGICAL expression
> make[1]: *** [modules.o] Error 1
> make: *** [para] Error 2
> ----------------------------------------------------------------------------------------
> I have searched on the mailing archive but still can't find a solution.
> Any suggestions on this issues would be appreciated.
>
> Thanks in advance.
>
> Fermin
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
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