[Pw_forum] Compiling qe-6.0 with -D__WANLIB

Vahid Askarpour vh261281 at dal.ca
Fri Aug 11 18:28:00 CEST 2017

Dear QE Community,

In attempting to compile QE-6.0 with Wannier90 with the “library mode” capability, I added the -D__WANLIB to the DFLAGS in make.inc. When I issue “make pwall”, I get the following error:

	pw2wannier90.o libpp.a ../../PW/src/libpw.a ../../Modules/libqemod.a ../../FFTXlib/libqefft.a ../../LAXlib/libqela.a /home/vaskarpo/bin/qe-6.0_gcc//clib/clib.a /home/vaskarpo/bin/qe-6.0_gcc//iotk/src/libiotk.a -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64   -lmkl_gf_lp64  -lmkl_sequential -lmkl_core    
pw2wannier90.o: In function `run_wannier_':
/home/vaskarpo/bin/qe-6.0_gcc/PP/src/pw2wannier90.f90:636: undefined reference to `wannier_run_'
pw2wannier90.o: In function `setup_nnkp_':
/home/vaskarpo/bin/qe-6.0_gcc/PP/src/pw2wannier90.f90:511: undefined reference to `wannier_setup_'
collect2: error: ld returned 1 exit status
make[2]: *** [Makefile:140: pw2wannier90.x] Error 1
make[2]: Leaving directory '/home/vaskarpo/bin/qe-6.0_gcc/PP/src'
make[1]: *** [Makefile:7: all] Error 1
make[1]: Leaving directory '/home/vaskarpo/bin/qe-6.0_gcc/PP'
make: *** [Makefile:92: pp] Error 1

I am using gcc/5.4.0 and openmpi/2.1.1 with mkl/

Is this not the correct way to build QE with Wannier90 in the library mode?

Thank you,


Vahid Askarpour
Department of Physics and Atmospheric Science
Dalhousie University,
Halifax, NS, Canada

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