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

Alfio Lazzaro alfio.... at gmail.com
Wed Jan 9 11:08:43 UTC 2019


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 <javascript:>
> skypename: ronaldcohen
> twitter: @recohen3
>
>
>
>
> On Jan 9, 2019, at 9:29 AM, Ronald Cohen <rec... at gmail.com <javascript:>> 
> 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 <javascript:>
> skypename: ronaldcohen
> twitter: @recohen3
>
>
>
>
> On Jan 9, 2019, at 9:17 AM, Ronald Cohen <rec... at gmail.com <javascript:>> 
> 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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