[CP2K:10030] Re: Compile problem in fypp

[Ke Zhou]

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 <javascript:> 
>
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