Is there any error in the default arch file Linux-x86-64-g95.sopt?

Axel akoh... at gmail.com
Wed Jul 16 19:06:55 CEST 2008



On Jul 15, 10:29 pm, hawk2012 <hawk2... at gmail.com> wrote:
> Dear All:

dear unknown,

> I am trying to compile a serial version of cp2k2.0 with the
> recommended compiler g95. Following the INSTALL instructions of cp2k,
> I downloaded the latest version 0.92 of g95 souce code fromhttp://ftp.g95.org/
> and installed it on my 64bit Linux machine. I also downloaded
> lapack-3.1.1, GotoBLAS-1.26, fftw-3.1.2 and libint-1.1.2 from the

if you have problems with compiling, i would rather go and try to
minimized the sources of errors. i.e. use a precompiled version of
the compiler, do not use libint and use a precompiled BLAS/LAPACK
if possible (MKL for example works just fine with g95).

> recommended websites. These packages were then compiled with F77=g95
> and installed on my machine.
> After that I modified cp2k/arch/Linux-x86-64-g95.sopt to be:
> CC       = cc
> CPP      =
> FC       = g95
> LD       = g95
> AR       = ar -r
> DFLAGS   = -D__G95 -D__FFTSG -D__FFTW3 -D__LIBINT
> CPPFLAGS =
> FCFLAGS  = $(DFLAGS) -I$(G95_INC) -ffree-form -O2 -ffast-math -

you didn't set G95_INC and thus -ffree-form will be interpreted
as argument to the "-I" flag. this is the reason for the error
message indicating that g95 tries to interpret the code f77 style
fixed format.  => PEBCAC

cheers,
   axel.

> march=opteron -cpp -g
> LDFLAGS  = $(FCFLAGS)
> LIBS     = /home/lapack-3.1.1/lapack_LINUX.a \
>            /home/GotoBLAS/libgoto.a \
>            /home/libint/lib/libderiv.a \
>            /home/libint/lib/libint.a \
>            /home/fftw/lib/libfftw3.a \
>            -lstdc++ -lpthread
>
> OBJECTS_ARCHITECTURE = machine_g95.o
> Finally, I tried to compile cp2k with the command "make ARCH=Linux-
> x86-64-g95 VERSION=sopt" after entering directory cp2k/makefiles.
> However, some errors were reported during compileing process (see
> attached file log.g95).
> Could anyone give me any suggestions?


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