Compile problem in fypp
Ke Zhou
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
Patrick Seewald
Ke Zhou
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
Tiziano Müller
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
>
>
> 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
> toolversions/ on the cluster (in the same directory as CP2K
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> For more options, visit https://groups.google.com/d/optout.
--
Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich
Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano...@chem.uzh.ch
Ke Zhou
---------------------------------------------^
/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：
