[Wien] Wien2k compilation problem

[Peter Blaha]

The problem in SRC_tetra was already discussed in the mailing list.
Just add a "&" in the corresponding line.

The error in SRC_lapw2 is due to a problem with your OPTIONS.

make TYPE='REAL' TYPE_COMMENT='\!_REAL' \
   ./lapw2 FORT=f90 -m64 FFLAGS=' -m64 -dalign -O3 -free'
make: Warning: Ignoring DistributedMake -m option
cc -m64 -c cputim.c
f90  -c reallocate.f
modules.F: REAL version extracted
f90  -c modules_tmp_.F
MODULE param
^
"modules_tmp_.F", Line = 1, Column = 1: ERROR: The characters found in the label field are not valid.

It does not recognize the -m option, thus ignores all other options as well.
Then it complains in modules.F that there is a character in the first line,
because it does not get the -free option during compilation.

On the other hand, your mpi-compiler (mpif90) recognizes the -m64 switch, thus it
compiles properly with all desired options:

mpif90 -m64 -dalign -O3 -free -DParallel -c modules_tmp_.F
mv modules_tmp_.o modules.o
....

but fails during linking, since the cputim.o file is not 64bit:
ld: fatal: file cputim.o: wrong ELF class: ELFCLASS64

Just "read" the  messages your compiler gives.

The options on our SUN-Solaris system are (note the details for cc and LDFLAGS):
FC = f90
MPF = mpif90
CC = cc -xarch=amd64
FOPT =  -m64 -xtarget=opteron -O5 -free -dalign
FPOPT =  -m64 -xtarget=opteron -O5 -free -dalign
DParallel = '-DParallel'
FGEN = $(PARALLEL)
LDFLAGS = -L../SRC_lib -m64 -xlic_lib=sunperf
R_LIBS = -llapack_lapw
C_LIBS = $(R_LIBS)
RP_LIBS =  $(R_LIBS) -L/opt/local/lib -lscalapack -lblacsCinit_MPI-SUN4SOL2-0 -lblacsF77init_MPI-SUN4SOL2
-0 -lblacs_MPI-SUN4SOL2-0
CP_LIBS = $(RP_LIBS)

  ------------------------------------------------------------------------
> 
> Betreff:
> Wien2k compilation problem.
> Von:
> "Vinicius Lara" <srocupado at gmail.com>
> Datum:
> Thu, 27 Nov 2008 16:09:44 -0200
> An:
> wien at zeus.theochem.tuwien.ac.at
> 
> An:
> wien at zeus.theochem.tuwien.ac.at
> 
> 
> Hello there,
> 
> I'm getting some problems during the compilation over the siteconfig.
> 
> We are using the following specs:
> 
> Soft:
> Sun Studio 12 (f90)
> Sun Cluster Tools 8.1 (mpif90)
> AMD Acml 4.1.0
> 
> Hard:
> AMD Opteron 2.2Ghz.
> 2 x Sun Fire  x41000 blade.
> 
> 
> The compilation itself goes well until we reach the modules.F from the 
> SRC_lapw2 and SRC_tetra.
>  >From there on it totally unrecognizes the sintax of the file.
> Any help is appreciated.
> 
> 
> Thanks in advance.
> Vinicius L.
> 
> 
> 

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------