[Wien] lapw1 error "GTFNAM: exactly one command line argument has to be given"

[Peter Blaha]

Quite strange. Aparently, gtfnam works, otherwise lapw0 should not work
either.
Are you running in parallel or sequential ?

try      x lapw1 (-up / -c  if you have got a case.in1c file or spinpol.)
or     lapw1(c) (up)lapw1.def    

Does this work ?

Otherwise recompile with -O0 -Mfreeform only   (I seem to remember that
-fast did not work (or produced wrong results ?) with pgi 6.0 compiler
(on Intel Xeon system), while it was fine with pgi 5.2 ???)
Anyway, at least for Intel systems the ifort is much faster than pgi
(don't know about Opterons).

Regards

> 
> We are running wien2k_05 on a machine of AMD Operton 2.4GHz,64-bit with 
> Turbo Linux 8.0 for AMD64 system and the pgi (64-bit ) compiler. The 
> compiler progress is OK, however, when we run the scf cycle,after the lapw0, 
> an error occured in the lapw1 progrss with the message :" GTFNAM: exactly 
> one command line argument has to be given ". We dont know what it means and 
> how to deal with this problem, can anybody give a suggestion?Thanks very 
> much.
> 
> the comlication conditions and hardware are as follows:
> AMD Operton 2.4GHz, 64-bit
> Turbo Linux 8.0 for AMD64
> pgi (64-bit) compiler
>  Recommended options for system linuxpgi are:
> Compiler options -Mfreeform -fast -Kieee
> Linker Flags: -L../SRC_lib
> Preprocessor flags: '-DPrarllel'
> R_LIB (LAPACK+BLAS): -llapack_lapw -lblas
>  Current settings:
> O Compiler options: -tp=k8-64 -fast -Mfreeform -Mcache_align
> L Linker Flags: -L/home/user/sjtusmlt/.pgi/linux86-64/5.2/libso 
> -L/home/user/sjtusmlt/.acml/pgi64/lib
> P Preprocessor flags '-DParallel'
> R R_LIB (LAPACK+BLAS): -lacml -lpthread -lm -lg2c -lpgc
> 


                                      P.Blaha
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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/
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