[CP2K:301] Re: HSE functional

[Juerg Hutter]

Hi

http://ftp.g95.org/g95-x86_64-32-linux.tgz

I assume you have installed

http://ftp.g95.org/g95-x86_64-64-linux.tgz

Juerg Hutter

----------------------------------------------------------
Juerg Hutter                   Phone : ++41 44 635 4491
Physical Chemistry Institute   FAX   : ++41 44 635 6838
University of Zurich           E-mail: hut... at pci.uzh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
----------------------------------------------------------


On Fri, 28 Sep 2007, lmliu wrote:

> Hi,
>
> Can anyone tell me how can I get 4-byte one? On the website of 95, i can not
> find the binary 95 for 4-byte for the X86-64.
>
> Or what parameter in the configure does I need to choose to compile g95? I
> look through the mannual of G95, but I do not get it. Thanks a lot.
>
> Limin
>
> 2007/9/28, Matthias Krack <matthia... at psi.ch>:
>>
>>
>> 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
>>>
>>>
>>>>
>>>
>>
>>>
>>
>
> >
>