[Pw_forum] Compilation Problem

Paolo Giannozzi giannozz at nest.sns.it
Wed Dec 6 15:02:54 CET 2006

On Dec 6, 2006, at 13:05 , Fengjie Ma wrote:

> yes, first I run ./configure, then I edit the make.sys and iotk/ 
> include/iotk_config.h.

you shouldn't need to modify either, if "configure" finds that
"ifc" is the underlying compiler called by "mpif90". Maybe it

> Another problem that I asked this afternoon also having been solved
> by using "dos2unix wannier.f90".

there were unfortunately DOS ^M characters left in some files.
It had been fixed but I forgot to include this fix in the distribution.
> cpp -P -traditional
you do not need a separate preprocessing step for ifc
> -D__LINUX64
this preprocessing option doesn't exist any longer
(see include/defs.h.README for a list of preprocessing options)
> -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI -D__PARA -I../include  -I/ 
> soft/fftw-215/include/
you do not need include files for fftw if you use the internal fft
> Error 355 : In program unit READ_FILE variable NSP has not been  
> given a type
it has, whatever the compiler says. Try to remove "ntyp => nsp,"
and to change the only occurrence of "ntyp" into "nsp" in
PW/read_file.f90 ; maybe this confuses the compiler

Paolo Giannozzi, Democritos and University of Udine, Italy

More information about the users mailing list