It is currently Fri Sep 20, 2019 2:49 pm

View unanswered posts | View active topics


Tell a friend!

Portal »Board index » Compilation

All times are UTC




Post new topic Reply to topic  Page 1 of 1
  [ 4 posts ] 
Print view Previous topic | Next topic 
Error while compiling Wannier90 
Author Message
Antonius

Joined: Thu Jun 15, 2017 1:05 am
Posts: 2
University: UC Berkeley
Post Error while compiling Wannier90
Dear all,
I have carefully followed the steps to compile EPW from the qe-6.1 package. However, the compilation stops during the last step (make epw) while trying to compile the wannier90 library. The compilation stops with:
Code:
touch uncompress-w90
cd ../W90 ; \
   if (test -e ../install/make_wannier90.sys) || (test -d ../W90); then \
   (cp ../install/make_wannier90.inc ../W90/make.inc); fi
touch ./configure-w90
if test -d ../W90; then \
   cd ../W90; /Applications/Xcode.app/Contents/Developer/usr/bin/make || exit 1; cd ../bin; ln -fs ../W90/wannier90.x . ; fi
make[5]: *** No targets specified and no makefile found.  Stop.
make[4]: *** [w90] Error 1
make[3]: *** [w90] Error 1
make[3]: *** No rule to make target `lib'.  Stop.
make[2]: *** [wannier] Error 2
make[1]: *** [epw] Error 2
make: *** [epw] Error 1


The directory W90 is a symbolic link that points to the unzipped directory wannier90-2.1.0 . The content of this directory is the following:
Code:
> ls -1 wannier90-2.1.0/
LICENSE
make.inc
pwscf
test-suite
utility


It seems like the build script expected a Makefile in that directory. Any suggestion to fix this?
Thanks.
Thu Jun 15, 2017 1:23 am
Profile E-mail
sponce
Site Admin
User avatar

Joined: Wed Jan 13, 2016 7:25 pm
Posts: 573
University: Oxford
Post Re: Error while compiling Wannier90
Hello Gab,

Could you try the following during step 4 of http://epw.org.uk/Main/DownloadAndInstall

cd ../../

make pwall

make ph

cd EPW/src

make (so directly inside the src file of EPW)

You can then do

cd ../../

make EPW

to get the binary inside the QE/bin folder if you want or directly use the binary from EPW/src/epw.x

Let me know if this works for you.

Best,

Samuel

_________________
Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK

Thu Jun 15, 2017 11:12 am
Profile E-mail
Antonius

Joined: Thu Jun 15, 2017 1:05 am
Posts: 2
University: UC Berkeley
Post Re: Error while compiling Wannier90
Hi Sam,
This procedure did not solve the problem, but I think I found a work around. I downloaded Wannier90 on its own and extracted the package inside qe-6.1, so now the directory wannier90-2.1.0 seems to have all the important files, including the Makefile and the src directory.

The compilation of wannier90 went through, but then I encountered a different problem. The compilation stopped with

Code:
mpif90 -g -pthread -o epw.x \
   epw.o  libepw.a   ../../PHonon/PH/libph.a ../../LR_Modules/liblrmod.a ../../wannier90-2.1.0/libwannier.a  ../../PW/src/libpw.a ../../Modules/libqemod.a ../../FFTXlib/libqefft.a ../../LAXlib/libqela.a ../../clib/clib.a ../../iotk/src/libiotk.a  -llapack  -lblas  -L/usr/local/Cellar/fftw/3.3.6-pl2/lib -lfftw3  -lblas    -L/usr/local/Cellar/hdf5/1.10.1/lib/ -lhdf5 
duplicate symbol _main in:
    epw.o
    libepw.a(epw.o)
ld: 1 duplicate symbol for architecture x86_64
collect2: error: ld returned 1 exit status
make[2]: *** [epw.x] Error 1
make[1]: *** [epw] Error 2
make: *** [epw] Error 1


I solved this problem by editing the file EPW/src/Makefile and removing epw.o from the list of EPWOBJS that are used to generate the library. Then the compilation succeded.

Thanks,
Gabriel
Thu Jun 15, 2017 4:59 pm
Profile E-mail
sponce
Site Admin
User avatar

Joined: Wed Jan 13, 2016 7:25 pm
Posts: 573
University: Oxford
Post Re: Error while compiling Wannier90
Hello,

Something must have gone wrong during the download of the Wannier90 tar file since it should be the same link as when you do a direct download from their website.

Glad to hear that you solved it.

I have removed the duplicated "epw.o" in EPWOJBS. Thank you!.

Best,

Samuel

_________________
Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK

Fri Jun 16, 2017 10:35 am
Profile E-mail
Display posts from previous:  Sort by  
Post new topic Reply to topic  Page 1 of 1
  [ 4 posts ] 

Portal »Board index » Compilation

All times are UTC


Who is online

Users browsing this forum: No registered users and 1 guest

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum

Search for:
Jump to:  
cron
Powered by phpBB © phpBB Group.
Designed by Vjacheslav Trushkin

(All content on this board is governed by and is the sole responsibility of the board administrator.)


Gratis forum Free forum hosting| gratis phpbb3 forum | phpbb3 styles