[CP2K:8329] Problems installing libgrid

Iain Bethune ibet... at epcc.ed.ac.uk
Fri Nov 4 11:28:17 CET 2016


Hi Daniele,

Thanks for flagging those up, both issues are fixed.  Let me know if there are more (you can just mail me off-list if you prefer).

- Iain

--

Iain Bethune
Project Manager, EPCC

Email: ibet... at epcc.ed.ac.uk
Twitter: @IainBethune @PrimeGrid @CP2Kproject
Web: http://www2.epcc.ed.ac.uk/~ibethune
Tel/Fax: +44 (0)131 650 5201/6555
Mob: +44 (0)7598317015
Addr: 2404 JCMB, The King's Buildings, Peter Guthrie Tait Road, Edinburgh, EH9 3FD

> On 1 Nov 2016, at 17:52, Daniele Fontanari <danielef... at gmail.com> wrote:
> 
> Hi
> 
> sorry for my late reply.
> 
> I just tried the new version through the command
> 
> git clone https://github.com/cp2k/cp2k.git
> 
> what I see is that generate_makefile.sh is not executable and there is a problem, apparently it generates a Makefile without the compilation commands, for instance:
> generate.x:
>          -c options.f90 
>          -c generate.f90  
>          options.o generate.o -o generate.x
> 
> I suspect that the error might be in the line 151 (and maybe in others) of generate_makefile.sh
> 
> \t$FC_native -c options.f90 \n\t$FC_native -c generate.f90  \n\t$FC_native options.o generate.o -o generate.x                                                                                                                                
> 
> maybe it is necessary to escape the special character '$' ?
> 
> Il giorno giovedì 27 ottobre 2016 10:35:15 UTC+2, IBethune ha scritto:
> Hi Daniele, 
> 
> These issues are now fixed in the latest SVN.  For machines where you are cross-compiling you need to be able to specify flags for a native build for the helper progam generate.x.  This is now done by FCFLAGS_NATIVE in config.in, and for gfortran the correct option is ‘-march=native’, for the Cray ‘ftn’ compiler script ‘-target=native’ is correct. 
> 
> Re: echo -e, this is something that depends on the shell you are using.  I replaced all of them with use of the builtin printf, which should work portably irrespective of whether ‘echo’ understands -e or not. 
> 
> Please give it a go and let me know if any further modifications are needed. 
> 
> Cheers 
> 
> - Iain 
> 
> -- 
> 
> Iain Bethune 
> Project Manager, EPCC 
> 
> Email: ibe... at epcc.ed.ac.uk 
> Twitter: @IainBethune @PrimeGrid @CP2Kproject 
> Web: http://www2.epcc.ed.ac.uk/~ibethune 
> Tel/Fax: +44 (0)131 650 5201/6555 
> Mob: +44 (0)7598317015 
> Addr: 2404 JCMB, The King's Buildings, Peter Guthrie Tait Road, Edinburgh, EH9 3FD 
> 
> > On 27 Oct 2016, at 08:00, Daniele Fontanari <danie... at gmail.com> wrote: 
> > 
> > Hello everyone, 
> > 
> > I'm trying to install cp2k (downloaded from git) and optimizing through the installation of libgrid tools/autoune. 
> > I've encountered two problems in the build process (through the script generate_makefile.sh which create the Makefile). 
> > The first one is that inside the Makefile (in the section generate.x) it uses the flag "-target=native" which is not recognized by my gfortran, I guessed that maybe it was meant to be "-march=native"? 
> > The second one is that the test are done (to my understanding) by feeding to generate.x some files generate_${l}_${iopt}.in (through generate.x < generate_${l}_${iopt}.in) and the generate_${l}_${iopt}.in itself are created by echoing inside some strings. Problem is (for me) that the command 
> > echo -e "something" is used and this make the string "-e something" appears inside the file instead of "something" 
> > 
> > I understand that being generate_makefile.sh 7 month old this is probably related to some misconfiguration of my system, and I'd like to know your opinion about this, but I solved my problem by replacing "echo -e" and "echo  -e" inside Makefile with "echo" and "target=native" with "march=native" and everything seems to work fine. This should be achieved by applying the patch  attached. 
> > This is not really well tested, it modifies the generate_makefile.sh, you can still achieve the same using the original generate_makefile.sh and then invoking the command 
> > 
> > "sed -i -e 's/echo -e/echo/g' -e 's/echo  -e/echo/g' -e 's/target=native/march=native/g' Makefile" 
> > 
> > Thanks 
> > Daniele 
> > 
> > -- 
> > You received this message because you are subscribed to the Google Groups "cp2k" group. 
> > To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+... at googlegroups.com. 
> > To post to this group, send email to cp... at googlegroups.com. 
> > Visit this group at https://groups.google.com/group/cp2k. 
> > For more options, visit https://groups.google.com/d/optout. 
> > <generate_makefile.sh.patch> 
> 
> 
> -- 
> The University of Edinburgh is a charitable body, registered in 
> Scotland, with registration number SC005336. 
> 
> 
> -- 
> You received this message because you are subscribed to the Google Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at https://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.


-- 
The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.




More information about the CP2K-user mailing list