[QE-users] [External Email] Re: For git master version of q-e, `make epw' will use wannier90-3.0.0, instead of the latest stable version.

[Hongyi Zhao]

On Tue, Jun 30, 2020 at 7:30 PM Samuel Poncé <samuel.pon at gmail.com> wrote:
>
> Hello Hongyi,
>
> I updated the version of wannier to the latest stable one wannier90-3.1.0 and made a QE MR:
>
> https://gitlab.com/QEF/q-e/-/merge_requests/979

Thanks for your updating.

>
> Although as said previously, it will most likely have no impact on EPW calculations.
> Indeed EPW uses the library version of wannier90

In fact, for my case, I've compiled the epw with the latest git master
q-e and wannier90. But when checking it with ldd, I cannot find any
invokation/dependence on libwannier90, see the following for more
info:

$ module load parallel_studio_xe
$ ldd epw.x
    linux-vdso.so.1 (0x00007ffee16ea000)
    libmkl_scalapack_lp64.so =>
/opt/intel/compilers_and_libraries_2020.1.217/linux/mkl/lib/intel64_lin/libmkl_scalapack_lp64.so
(0x00007fa5e6688000)
    libmkl_blacs_intelmpi_lp64.so =>
/opt/intel/compilers_and_libraries_2020.1.217/linux/mkl/lib/intel64_lin/libmkl_blacs_intelmpi_lp64.so
(0x00007fa5e6446000)
    libmkl_intel_lp64.so =>
/opt/intel/compilers_and_libraries_2020.1.217/linux/mkl/lib/intel64_lin/libmkl_intel_lp64.so
(0x00007fa5e58d6000)
    libmkl_sequential.so =>
/opt/intel/compilers_and_libraries_2020.1.217/linux/mkl/lib/intel64_lin/libmkl_sequential.so
(0x00007fa5e42ad000)
    libmkl_core.so =>
/opt/intel/compilers_and_libraries_2020.1.217/linux/mkl/lib/intel64_lin/libmkl_core.so
(0x00007fa5dff2d000)
    libmpifort.so.12 =>
/opt/intel/compilers_and_libraries_2020.1.217/linux/mpi/intel64/lib/libmpifort.so.12
(0x00007fa5dfb6e000)
    libmpi.so.12 =>
/opt/intel/compilers_and_libraries_2020.1.217/linux/mpi/intel64/lib/release/libmpi.so.12
(0x00007fa5de9eb000)
    libdl.so.2 => /lib/x86_64-linux-gnu/libdl.so.2 (0x00007fa5de9a6000)
    librt.so.1 => /lib/x86_64-linux-gnu/librt.so.1 (0x00007fa5de99b000)
    libpthread.so.0 => /lib/x86_64-linux-gnu/libpthread.so.0
(0x00007fa5de976000)
    libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007fa5de827000)
    libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007fa5de635000)
    libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007fa5de61a000)
    libfabric.so.1 =>
/opt/intel/compilers_and_libraries_2020.1.217/linux/mpi/intel64/libfabric/lib/libfabric.so.1
(0x00007fa5de3db000)
    /lib64/ld-linux-x86-64.so.2 (0x00007fa5e6fb5000)

I also noted that the wannier library version is named as
libwannier.a, i.e., a static libary. Do you mean epw uses this static
libary and embedded it into epw itself while linking?

> and therefore does not always benefit from the latest development.

Why can't the library version benefit from the latest development as
well as the wannier90's executable version?

-- 
Hongyi Zhao <hongyi.zhao at gmail.com>