[CP2K:299] Re: HSE functional

Matthias Krack matthia... at psi.ch
Fri Sep 28 09:21:51 CEST 2007


Hi Limin,

the error message seems to be clear. You are passing a 8-byte (Fortran) 
integer constant to a libint routine compiled with default 4-byte 
integers (g++). I guess you downloaded the g95 version with default 8-byte 
integers. If yes, I would suggest to download and use the g95 binary 
build for 4-byte default integers.

AFAIK, the IBM compiler can also handle the C ISO BINDINGS, too, but I 
have never tried it.

Matthias

On Fri, 28 Sep 2007, lml... at gmail.com wrote:

>
> Hi,
>  I download the new g95,  the system is the Linux-X86-64 operton
> machine, infiniband, . Libinit-1.1.2 is installed. I try to compile
> the hybrid part (the normal cp2k is ok), it always appear this error
> for the libinit_interface.f90. . How can I solve this?
>
> ...........................
> x86_64-unknown-linux-gnu-g95  -c -cpp -O3 -ffast-math
> cp_control_types.f90
> x86_64-unknown-linux-gnu-g95  -c -cpp -O3 -ffast-math
> semi_empirical_parameters.f90
> x86_64-unknown-linux-gnu-g95  -c -cpp -O3 -ffast-math  input_cp2k.f90
> x86_64-unknown-linux-gnu-g95  -c -cpp -O3 -ffast-math
> libint_interface.f90
>
> x86_64-unknown-linux-gnu-g95  -c -cpp -O3 -ffast-math
> libint_interface.f90
> In file /home/tool/code/cp2k/makefiles/../src/libint_interface.F:422
>
>          pc_result = pbuild(lib,1)
>                                 1
> Error: Type mismatch in parameter 'np' at (1).  Passing INTEGER(8) to
> INTEGER(4)
> In file /home/tool/code/cp2k/makefiles/../src/libint_interface.F:450
>
>          pc_result = pbuild(lib,1)
>                                 1
> Error: Type mismatch in parameter 'np' at (1).  Passing INTEGER(8) to
> INTEGER(4)
> In file /home/tool/code/cp2k/makefiles/../src/libint_interface.F:478
>
>          pc_result = pbuild(lib,1)
>                                 1
> Error: Type mismatch in parameter 'np' at (1).  Passing INTEGER(8) to
> INTEGER(4)
> In file /home/tool/code/cp2k/makefiles/../src/libint_interface.F:506
>
>          pc_result = pbuild(lib,1)
>                                 1
> Error: Type mismatch in parameter 'np' at (1).  Passing INTEGER(8) to
> INTEGER(4)
> In file /home/tool/code/cp2k/makefiles/../src/libint_interface.F:534
>
>          pc_result = pbuild(lib,1)
>                                 1
> Error: Type mismatch in parameter 'np' at (1).  Passing INTEGER(8) to
> INTEGER(4)
> In file /home/tool/code/cp2k/makefiles/../src/libint_interface.F:562
>
>          pc_result = pbuild(lib,1)
>                                 1
> Error: Type mismatch in parameter 'np' at (1).  Passing INTEGER(8) to
> INTEGER(4)
> In file /home/tool/code/cp2k/makefiles/../src/libint_interface.F:590
>
>          pc_result = pbuild(lib,1)
>                                 1
> Error: Type mismatch in parameter 'np' at (1).  Passing INTEGER(8) to
> INTEGER(4)
> In file /home/tool/code/cp2k/makefiles/../src/libint_interface.F:618
>
>          pc_result = pbuild(lib,1)
>                                 1
> Error: Type mismatch in parameter 'np' at (1).  Passing INTEGER(8) to
> INTEGER(4)
> make[1]: *** [libint_interface.o] Error 1
> make[1]: *** Waiting for unfinished jobs....
> make[1]: Leaving directory `/clhome/limin/code/cp2k/obj/g95/sopt-
> libint'
> make: *** [build] Error 2
>  0:00.87 [150.5%] used.
>
>
> By the way,  is it possible to use any other compiler except g95 for
> hybrid part?
> Any suggestions are welcome!
>
> Limin
>
>
> >
>



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