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Error while compiling Wannier90 http://epwforum.uk/viewtopic.php?f=5&t=319 |
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Author: | Antonius [ Thu Jun 15, 2017 1:23 am ] |
Post subject: | 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. |
Author: | sponce [ Thu Jun 15, 2017 11:12 am ] |
Post subject: | 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 |
Author: | Antonius [ Thu Jun 15, 2017 4:59 pm ] |
Post subject: | 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 |
Author: | sponce [ Fri Jun 16, 2017 10:35 am ] |
Post subject: | 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 |
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