[CP2K:10030] Re: Compile problem in fypp

[Alfio Lazzaro]

Hi,
are you including the LIBXC include path to your FCFLAGS? For instance, my 
arch file I have

FCFLAGS   += -I${LIBXC_PATH}/include

where LIBXC_PATH is set to the LIBXC path.

Best regards,

Alfio



Il giorno lunedì 26 febbraio 2018 09:28:10 UTC+1, Ke Zhou ha scritto:
>
> Dear Tiziano Müller ,
>
> Your suggestion works well.
>
> However here comes the new problem.
>
>
> ......
>
> ---------------------------------------------^
>
> /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/src/xc/xc_libxc_wrap.F(88): 
> error #6580: Name in only-list does not exist.   [XC_GGA_X_HJS_B97X]
>
>                                              XC_GGA_X_HJS_B97X,&
>
> ---------------------------------------------^
>
> /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/src/xc/xc_libxc_wrap.F(89): 
> error #6580: Name in only-list does not exist.   [XC_GGA_X_WPBEH]
>
>                                              XC_GGA_X_WPBEH
>
> ---------------------------------------------^
>
> /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/src/xc/xc_libxc_wrap.F(91): 
> error #6580: Name in only-list does not exist.   [DP]
>
>   USE kinds,                           ONLY: dp
>
> ---------------------------------------------^
>
> /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/src/xc/xc_libxc_wrap.F(92): 
> error #6580: Name in only-list does not exist.   [XC_F90_FUNC_END]
>
>   USE xc_f90_lib_m,                    ONLY: xc_f90_func_end,&
>
> ---------------------------------------------^
>
> /tmp/ifortWv0tBS.i90(656): catastrophic error: Too many errors, exiting
>
> compilation aborted for xc_libxc_wrap.F90 (code 1)
>
> make[3]: *** [xc_libxc_wrap.o] Error 1
>
> make[3]: *** Waiting for unfinished jobs....
>
> ifort: warning #10193: -vec is default; use -x and -ax to configure 
> vectorization
>
> ifort: warning #10193: -vec is default; use -x and -ax to configure 
> vectorization
>
> ifort: warning #10193: -vec is default; use -x and -ax to configure 
> vectorization
>
> ifort: warning #10193: -vec is default; use -x and -ax to configure 
> vectorization
>
> ifort: command line warning #10006: ignoring unknown option '-ffast-math'
>
> ifort: command line warning #10006: ignoring unknown option '-ffree-form'
>
> ifort: command line warning #10006: ignoring unknown option 
> '-ffree-line-length-none'
>
> ifort: command line warning #10159: invalid argument for option '-m'
>
> ifort: warning #10193: -vec is default; use -x and -ax to configure 
> vectorization
>
> /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/src/minimax/minimax_exp.F(38): 
> error #6580: Name in only-list does not exist.   [K_MM]
>
>                                               k_mm,&
>
> ----------------------------------------------^
>
> compilation aborted for minimax_exp.F90 (code 1)
>
> make[3]: *** [minimax_exp.o] Error 1
>
> make[2]: *** [all] Error 2
>
> make[1]: *** [popt] Error 2
>
> make: *** [all] Error 2
>
>
> The FCFLAGS is as follow:
>
>
>  FCFLAGS    = $(DFLAGS) -O2 -ffast-math -ffree-form 
> -ffree-line-length-none\
>
>               -ftree-vectorize -funroll-loops\
>
>                -mtune=native\
>
> The version of gfortran is : gcc version 4.1.2 20080704.
>
> And the version of libxc is 3.0.0.
>
>
> I thinks the problem maybe from libxc or the old version of gfortran.
>
> Can you help me?
>
>
> Best,
>
> Justin 
>
>
>
>
> 在 2018年2月26日星期一 UTC+8上午12:24:31，Tiziano Müller写道：
>>
>> Hi Ke 
>>
>> Try to run make like that: 
>>
>>   PATH="/home/xuzp/bin/packages/python/Python-2.7.14:${PATH}" make 
>> VERSION=sopt ARCH=local 
>>
>> or set your path variable before running make: 
>>
>>   export PATH="/home/xuzp/bin/packages/python/Python-2.7.14:${PATH}" 
>>   make VERSION=sopt ARCH=local 
>>
>> Both options should ensure that make picks up your version of Python. 
>>
>> And please talk to your administrator: Python 2.4 is EOL with its last 
>> bug fixing release more than 9 years ago. 
>>
>> Best regards, 
>> Tiziano 
>>
>> Am 24.02.2018 um 02:30 schrieb Ke Zhou: 
>> > Dear Patrick, 
>> > 
>> > Thanks for your reply. 
>> > 
>> > It returns: 
>> > 
>> > Discovering programs ... 
>> > 
>> > /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/makefiles/Makefile:42: 
>> > /home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/arch/local.sopt: No such 
>> > file or directory 
>> > 
>> > make[2]: *** No rule to make target 
>> > `/home/xuzp/bin/packages/cp2k_ForZK/cp2k-5.1/arch/local.sopt'.  Stop. 
>> > 
>> > make[1]: *** [sopt] Error 2 
>> > 
>> > make: *** [toolversions] Error 2 
>> > 
>> > 
>> > I type: /usr/bin/env python -V  
>> > 
>> > It returns:  
>> > 
>> > Python 2.4.3 
>> > 
>> > 
>> > I type: python -V  
>> > 
>> > It returns:  
>> > 
>> > Python 2.7.14 
>> > 
>> > 
>> > Because I have no permission to change the python on the root. So I 
>> > use /alias/ to link python to the new one on my users files.  
>> > 
>> >   
>> > 
>> > alias python='/home/xuzp/bin/packages/python/Python-2.7.14/python' 
>> > 
>> > 
>> > I gauss that the python running when making is old version not the new 
>> one.  
>> > 
>> > So I thinks If I specify the path for python, it may solve the problem. 
>> > But I don't how to do it. 
>> > 
>> > 
>> > Best,  
>> > 
>> > Ke   
>> > 
>> > 
>> > 在 2018年2月23日星期五 UTC+8下午10:19:15，Patrick Seewald写道： 
>> > 
>> >     It is rather strange that you get this syntax error from python 
>> >     since fypp should support python 2.7.14. If you type /make 
>> >     toolversions/ on the cluster (in the same directory as CP2K 
>> >     makefile), what is the output for Python? 
>> > 
>> >     Patrick 
>> > 
>> >     Am Freitag, 23. Februar 2018 13:37:37 UTC+1 schrieb Ke Zhou: 
>> > 
>> >         Dear all,  
>> > 
>> >         Now I am compiling the CP2K 2.5.1 on cluster. When I making, it 
>> >         returns: 
>> > 
>> > 
>> >         Discovering programs ... 
>> > 
>> >         Removing stale archives for popt ...  
>> > 
>> >         Resolving dependencies for popt ...  
>> > 
>> >         ... 
>> > 
>> >         ...  /cp2k-5.1/tools/build_utils/fypp -n  ... 
>> >         /cp2k-5.1/src/dbcsr/mm/dbcsr_mm_types.F dbcsr_mm_types.F90 
>> > 
>> >         ...  /cp2k-5.1/tools/build_utils/fypp", line 705 
>> > 
>> >             except Exception as exc: 
>> > 
>> >                               ^ 
>> > 
>> >         SyntaxError: invalid syntax 
>> > 
>> >         make[3]: *** [kinds.o] Error 1 
>> > 
>> >         make[3]: *** Waiting for unfinished jobs.... 
>> > 
>> > 
>> >         I thinks it's the problem from python. 
>> > 
>> > 
>> >         The version of python is: 
>> > 
>> > 
>> >          python -V 
>> > 
>> >          Python 2.7.14 
>> > 
>> > 
>> >         Here are my questions: 
>> > 
>> >         1. Can I directly specify the path of python on makefile? 
>> > 
>> >         2. Can I give up the build of tools? 
>> > 
>> > 
>> >         Can you help me? 
>> > 
>> > 
>> >         Justin  
>> > 
>> > 
>> > 
>> > 
>> > 
>> > -- 
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>>
>> -- 
>> Tiziano Müller 
>> University of Zurich 
>> Department of Chemistry 
>> Winterthurerstrasse 190 
>> CH-8057 Zürich 
>>
>> Tel: +41 44 63 54234 
>> www.chem.uzh.ch 
>> tizia... at chem.uzh.ch 
>>
>
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