[CP2K:1679] Re: libint wrapper for Intel compiler

[Teodoro Laino]

who knows??? maybe a buggy g95!
with version: May 11 2007 works..
Teo

Lukasz Walewski wrote:
> On Mon, 2008-12-22 at 14:19 +0100, Teodoro Laino wrote:
>   
>> Hi Lukasz,
>>
>> there's no need of any patch.. if you look in the directory:
>>
>> cp2k/libint_tools/
>>
>> there's already the wrapper you need with all instructions on how to use it.
>> This must be linked.. so an additional trivial modification to your arch 
>> file is necessary.
>> Hope this helps!
>> Teo
>>     
>
> Yes, this went through easily. Thanks!
>
> Now I came back to G95 (I did not try libint with G95 before) and I got
> the following assembler error:
>
> g95 -c -D__G95 -D__parallel -D__BLACS -D__SCALAPACK -D__FFTSG -D__FFTW3
> -D__FFTMKL -D__LIBINT -cpp -ffree-form
> -I/home/hforbert/opt/openmpi1.2.5/include
> -I/opt/intel/mkl/10.0.3.020/include
> -I/home/lwalewsk/opt/libint-1.1.2/include/libderiv
> -I/home/lwalewsk/opt/libint-1.1.2/include/libint -O2
> -fomit-frame-pointer -funroll-loops -ffast-math -march=opteron -msse2
> -D__COMPILE_ARCH="\"Linux-x86-64-g95\"" -D__COMPILE_DATE="\"Mon Dec 22
> 14:30:51 CET 2008\"" -D__COMPILE_HOST="\"magrathea\""
> -D__COMPILE_LASTCVS="\"D
> \"" /home/lwalewsk/rt/cp2k/makefiles/../src/cp_sm_struct.F
> /tmp/cc5wCwh9.s: Assembler messages:
> /tmp/cc5wCwh9.s:532: Error: symbol `build_deriv1_eri' is already defined
> /tmp/cc5wCwh9.s:556: Error: symbol `build_eri' is already defined
> make[1]: *** [hfx_libint_wrapper.o] Error 1
> make[1]: *** Waiting for unfinished jobs....
> make[1]: Leaving directory
> `/data/prefect/lwalewsk/rt/cp2k/obj/Linux-x86-64-g95/popt'
> make: *** [build] Error 2
>
> What this might be ?
>
> Cheers,
> Lukasz
>
>
> >
>