[CP2K-user] [CP2K:11149] Re: van der Waals regtests fail on Intel KNL, and build glitches

[Alfio Lazzaro]

To be more precise, probably you have in your arch/local.ssmp

CPP = gcc
CPPFLAGS   = -E

Although this is strange (I've never had these flags set in my toolchain), 
I get a similar problem if I do set in my arch file.
This is a bug in the CP2K makefile:

https://github.com/cp2k/cp2k/blob/700dfe71c0b99fbb8510f414e08a90aacc047890/Makefile#L444-L447

I will open a PR for that. Thanks for reporting.





Il giorno mercoledì 9 gennaio 2019 12:08:44 UTC+1, Alfio Lazzaro ha scritto:
>
> OK, for some reason you set
>
> CPP
>
> in the arch file. Could you check under arch directory what is the value 
> of CPP?
> An easy solution would be to remove it.
>
>
>
> Il giorno mercoledì 9 gennaio 2019 09:39:41 UTC+1, Ronald Cohen ha scritto:
>>
>> This shows clearly that the file cannot be called fypped:
>>
>> cp qs_basis_gradient.f90 t.fypped
>> rcohen at tomcat3:~/CP2K/cp2k/src$ gcc -E -cpp t.fypped
>> gcc: warning: t.fypped: linker input file unused because linking not done
>> rcohen at tomcat3:~/CP2K/cp2k/src$ cp t.fypped t.f
>> rcohen at tomcat3:~/CP2K/cp2k/src$ gcc -E -cpp t.f | head
>> # 1 "t.f"
>> # 1 "<built-in>"
>> # 1 "<command-line>"
>> # 1 "t.f"
>>
>> !--------------------------------------------------------------------------------------------------!
>> !   CP2K: A general program to perform molecular dynamics simulations     
>>                          !
>> !   Copyright (C) 2000 - 2018  CP2K developers group                     
>>                           !
>>
>> !--------------------------------------------------------------------------------------------------!
>>
>> ! 
>> *****************************************************************************
>>
>> ---
>> Ron Cohen
>> rec... at gmail.com
>> skypename: ronaldcohen
>> twitter: @recohen3
>>
>>
>>
>>
>> On Jan 9, 2019, at 9:29 AM, Ronald Cohen <rec... at gmail.com> wrote:
>>
>> It seems that gcc -E will not work on a file called x.fypped . If I call 
>> this file x.f90 and do gcc -E -cpp on it preprocesses. So it seems the 
>> toolchain doesn’t not work properly.
>>
>> Ron
>>
>> ---
>> Ron Cohen
>> rec... at gmail.com
>> skypename: ronaldcohen
>> twitter: @recohen3
>>
>>
>>
>>
>> On Jan 9, 2019, at 9:17 AM, Ronald Cohen <rec... at gmail.com> wrote:
>>
>> It seems that the gcc -E doesn’t work:
>>>
>>> /home/rcohen/CP2K/cp2k/tools/toolchain/install/gcc-8.2.0/bin/gcc -E 
>>> -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Jan  9 08:49:48 CET 
>>> 2019\"" -D__COMPILE_HOST="\"tomcat3\"" 
>>> -D__COMPILE_REVISION="\"git:89b110c40\"" 
>>> -D__DATA_DIR="\"/home/rcohen/CP2K/cp2k/data\"" -I/home/rcohen/CP2K/cp2k/src 
>>> -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/home/rcohen/CP2K/cp2k/src/' 
>>> qs_basis_gradient.fypped > qs_basis_gradient.f90
>>> gcc: warning: qs_basis_gradient.fypped: linker input file unused because 
>>> linking not done
>>>
>>>
>>> It outputs a zero length file:
>>>
>>> -rw-r--r--  1 rcohen tomcat   15467 Jan  9 08:49 qs_basis_gradient.fypped
>>> -rw-r--r--  1 rcohen tomcat       0 Jan  9 08:55 qs_basis_gradient.f90
>>>
>>> It must work sometimes because some things get built! 
>>>
>>
>> If I use /usr/bin/gcc (gcc version 6.3.0 20170516 (Debian 
>> 6.3.0-18+deb9u1)) the same thing happens. 
>>
>> I do not see anything wrong with qs_basis_gradient.fypped . Why does gcc 
>> -E output nothing?
>>
>>>
>>> Ron
>>>
>>>
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