[QE-users] installing error in QE7.0

[Hongyi Zhao]

On Tue, Dec 28, 2021 at 5:14 PM Hongyi Zhao <hongyi.zhao at gmail.com> wrote:
>
> On Mon, Dec 27, 2021 at 3:08 PM venky ch <chvenkateshphy at gmail.com> wrote:
> >
> >
> > Dear Pietro,
> >
> > Thanks for your email. I have installed following toolkits of intel-oneapi
> >
> > 1. l_BaseKit_p_2022.1.1.119_offline.sh
> > 2. l_HPCKit_p_2021.4.0.3347_offline.sh
>
> I think you should try with the related toolkits released at the same
> time, i.e., as follows:
>
> https://registrationcenter-download.intel.com/akdlm/irc_nas/18445/l_BaseKit_p_2022.1.1.119_offline.sh
> https://registrationcenter-download.intel.com/akdlm/irc_nas/18438/l_HPCKit_p_2022.1.1.97_offline.sh
>
> I have installed the above combination, but I haven't tried to compile
> QE yet. I'll try it later and report the result.

I can compile the git master version of QE successfully with the above
intel oneapi toolkits:

$ git log -1
commit 979aba59d385d4db0a485f17e3b0b3937be1a9cf (HEAD -> develop,
origin/develop, origin/HEAD)
Merge: 6e9a1fad5 3cbd9fe52
Author: giannozz <paolo.giannozzi at uniud.it>
Date:   Fri Dec 24 06:18:47 2021 +0000

    Merge branch 'fix-macos' into 'develop'

    [CMake] solve ctest issue on MacOS

    See merge request QEF/q-e!1690

$ module load intel/oneapi/2022.0.1
$ mkdir build && cd $_
$ cmake -DCMAKE_C_COMPILER=mpiicc -DCMAKE_Fortran_COMPILER=mpiifort
-DQE_ENABLE_SCALAPACK=ON ..
$ make -j44
$ ls bin/
abcoeff_to_eps.x  disca.x         fd_ef.x           gww.x
memory_pw4gww.x       plotproj.x     pw2critic.x     simple_bse.x
    virtual_v2.x
all_currents.x    dos_sp.x        fd_ifc.x          head.x
molecularnexafs.x     plotrho.x      pw2gt.x         simple_ip.x
    w90chk2chk.x
alpha2f.x         dos.x           fd.x              hgh2qe.x
molecularpdos.x       pmw.x          pw2gw.x         simple.x
    wannier_ham.x
average.x         dvscf_q2r.x     fermi_int_0.x     hp.x
neb.x                 postahc.x      pw2wannier90.x
spectra_correction.x  wannier_plot.x
bands_unfold.x    dynmat.x        fermi_int_1.x     ibrav2cell.x
open_grid.x           postw90.x      pw4gww.x        sumpdos.x
    wannier_prog.x
bands.x           ef.x            fermi_proj.x      initial_state.x
path_interpolation.x  ppacf.x        pwcond.x        turbo_davidson.x
    wfck2r.x
bse_main.x        epa.x           fermi_velocity.x  kpoints.x
pawplot.x             pp_disca.x     pwi2xsf.x       turbo_eels.x
    wfdd.x
casino2upf.x      epsilon_Gaus.x  fqha.x            lambda.x
phcg.x                pp_spctrlfn.x  pw.x            turbo_lanczos.x
    xspectra.x
cell2ibrav.x      epsilon.x       fs.x              ld1.x
ph.x                  pp.x           q2qstar.x       turbo_magnons.x
    ZG.x
cppp.x            epw.x           graph.x           manycp.x
plan_avg.x            projwfc.x      q2r.x           turbo_spectrum.x
cp.x              ev.x            gww_fit.x         matdyn.x
plotband.x            pw2bgw.x       scan_ibrav.x    upfconv.x


Please check some related discussions here [1-2].

[1] https://gitlab.com/QEF/q-e/-/issues/438
[2] https://gitlab.com/QEF/q-e/-/issues/436

Regards,
HZ