cp2k 2.6.0 compilation on cygwin

[Ole Schütt]

Hi,

I'm glad to hear that CP2K apparently also works on Windows. Maybe you 
could share your experiences by writting a short tutorial for the wiki?

Cheers,
Ole

Am Donnerstag, 12. März 2015 11:54:01 UTC+1 schrieb brhr:
>
> Hello,
>
>  
>
> The problem was settled.
>
> I had used the archiver of Lhaplus which is very popular in Japan to 
> unpack cp2k-2.6.0.tar.bz2.
>
>  
> Additional directories named PaxHeaders.XXXX and files were generated in 
> the unpacked cp2k-2.6.0 directory and its subdirectories, the compilation 
> failure of cp2k 2.6.0 seemed to be responsible for these files. 
>
>  
>
> Instead of using Lhaplus, I used Cygwin command to unpack tar.bz2.
>
> tar -xvf cp2k-2.6.0.tar.bz2
>
>  
>
> I made a definition file which named Cygwin-i686-gfortran-noflag.sopt as 
> follows,
>
>  
>
> CC       = cc
>
> CPP     = 
>
> FC       = gfortran
>
> LD       = gfortran
>
> AR       = ar -r
>
> CPPFLAGS = 
>
> DFLAGS   = -D__FFTSG
>
> FCFLAGS  = -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form 
> $(DFLAGS) 
>
> LDFLAGS  = $(FCFLAGS) 
>
> LIBS     =  -llapack -lblas
>
>  
>
> ,which is almost identical to Cygwin-i686-gfortran.sopt in cp2k-2.5.1/arch 
> except absence of -D__FORTRAN and -march=native flags.
>
> -D__FORTRAN may be unnecessary (as I read by an another thread in this 
> group).
>
> I removed -march=native to run the cp2k.sopt on Windows PC which Cygwin is 
> not installed. 
>
> After I did the following command operation, “make 
> ARCH=Cygwin-i686-gfortran-noflag VERSION=sopt”, cp2k.sopt and and other 
> sopts were generated in exe directory. The cp2k.sopt seems to work fine.
>  
>
>> Regards.
>>
>
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