[Wien] Compilation error in IRelast and lapwso

lung Fermin ferminlung at gmail.com
Tue Jan 13 10:19:48 CET 2015


Dear all,

I am trying to compile the Wien2k v.14.2 package with gfortran (v.4.4.6)
and mpif90 . The compiling options are as follows:
------------------------------------------------
current:FOPT:-ffree-form -O2 -ffree-line-length-none
current:FPOPT:-ffree-form -O2 -m64 -ffree-line-length-none
current:FFTW_OPT:-DFFTW3 -I/usr/local/include
current:FFTW_LIBS:-lfftw3_mpi -lfftw3 -L/usr/local/lib
current:LDFLAGS:$(FOPT) -L/usr/local/lib
current:DPARALLEL:'-DParallel'
current:R_LIBS:-llapack -lblas
current:RP_LIBS:-lscalapack -lmkl_solver_lp64 -lmkl_blacs_lp64 $(R_LIBS)
current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
current:MKL_TARGET_ARCH:
--------------------------------------------------

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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