[QE-users] [External Email] Re: Error in compiling andinstalling QE

Paolo Giannozzi p.giannozzi at gmail.com
Tue Jun 23 15:38:52 CEST 2020 

QHA is no longer supported

On Tue, Jun 23, 2020 at 3:33 PM Pooja Vyas <poojavyas595 at gmail.com> wrote:

> I now have all the binaries of QE code in bin folder. But QHA module has
> its own bin folder in which executables are generated after running
> ./Compile in QHA directory itself. But on running that command I face
> following error:
>
>
> user at xyz:~/qe-6.5/QHA$ ./Compile
> ifort -O3  -c  tetra.f
> make: ifort: Command not found
> make: *** [Makefile:26: tetra.o] Error 127
> ifort -O3   -c  Debye.f90
> make: ifort: Command not found
> make: *** [Makefile:19: Debye.o] Error 127
> ifort -FR -c  Mean_square_displacement.f90
> make: ifort: Command not found
> make: *** [Makefile:47: Mean_square_displacement.o] Error 127
>
> How do I solve this problem?
> Any kind of help is appreciated.
> Thanks.
>
> On Tue, Jun 23, 2020 at 6:52 PM Pietro Delugas <pdelugas at sissa.it> wrote:
>
>> Hi Pooja
>>
>> You should change the PREFIX variable in the make.inc file in order that
>> it point to some position where you have writing access and then run
>>
>> make install
>>
>>
>>
>> Pietro
>>
>>
>>
>> Sent from Mail <https://go.microsoft.com/fwlink/?LinkId=550986> for
>> Windows 10
>>
>>
>>
>> *From: *Pooja Vyas <poojavyas595 at gmail.com>
>> *Sent: *Tuesday, June 23, 2020 3:12 PM
>> *To: *Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
>> *Subject: *Re: [QE-users] [External Email] Re: Error in compiling
>> andinstalling QE
>>
>>
>>
>> I'm trying to install in my own system..then what about permissions?
>>
>>
>>
>> On Tue, 23 Jun 2020, 6:04 pm Hari Paudyal, <hpaudya1 at binghamton.edu>
>> wrote:
>>
>> Hi Pooja,
>>
>>
>>
>> I think you are working in a directory (user/local/bin) where you do not
>> have permission. Ask your administrator/cluster manager for permission.
>>
>>
>>
>> Best,
>>
>> Hari Paudyal
>>
>> Binghamton University, SUNY NY
>>
>>
>>
>> On Mon, Jun 22, 2020 at 2:22 PM Pooja Vyas <poojavyas595 at gmail.com>
>> wrote:
>>
>> Dear users,
>>
>> I even met with an error after the command "make install" which are as
>> follows:
>>
>>
>>
>>
>>
>> cp: cannot create regular file '/usr/local/bin/wfdd.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/cppp.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/cp.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/manycp.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/head.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/bse_main.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/gww.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/gww_fit.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/pw4gww.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/neb.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/path_interpolation.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/phcg.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/fd_ef.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/fd_ifc.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/fd.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/ph.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/q2qstar.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/lambda.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/alpha2f.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/q2r.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/dynmat.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/matdyn.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/q2trans.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/fqha.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/q2trans_fd.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/wannier_ham.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/fermi_proj.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/wannier_plot.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/dos.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/plan_avg.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/pmw.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/bgw2pw.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/pw_export.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/epsilon.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/bands.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/plotproj.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/average.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/pawplot.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/projwfc.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/plotrho.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/wfck2r.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/plotband.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/fs.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/sumpdos.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/pw2bgw.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/fermi_velocity.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/importexport_binary.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/pw2wannier90.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/initial_state.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/pp.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/pw2gw.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/molecularpdos.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/pw.x': Permission denied
>> cp: cannot create regular file
>> '/usr/local/bin/generate_vdW_kernel_table.x': Permission denied
>> cp: cannot create regular file
>> '/usr/local/bin/generate_rVV10_kernel_table.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/pwi2xsf.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/kpoints.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/ev.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/ibrav2cell.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/pwcond.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/iotk_print_kinds.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/iotk.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/turbo_lanczos.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/turbo_davidson.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/turbo_eels.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/turbo_spectrum.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/molecularnexafs.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/xspectra.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/spectra_correction.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/ld1.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/test.x': Permission denied
>> cp: cannot create regular file '/usr/local/bin/interpolate.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/uspp2upf.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/fhi2upf.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/read_upf_tofile.x':
>> Permission denied
>> cp: cannot create regular file '/usr/local/bin/rrkj2upf.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/oldcp2upf.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/vdb2upf.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/fpmd2upf.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/virtual.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/upf2casino.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/ncpp2upf.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/casino2upf.x': Permission
>> denied
>> cp: cannot create regular file '/usr/local/bin/cpmd2upf.x': Permission
>> denied
>> make: *** [Makefile:273: install] Error 1
>>
>>
>>
>> On Mon, Jun 22, 2020 at 11:41 PM Pooja Vyas <poojavyas595 at gmail.com>
>> wrote:
>>
>> Dear users,
>>
>> I'm trying to install QE-6.5, but I met with the following error which
>> appears multiple times while giving 'make all' command..Can anyone suggest
>> how do I install and compile perfectly without this error?
>>
>> f951: Warning: Nonexistent include directory ‘../include/’
>> [-Wmissing-include-dirs]
>> mpif90 -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__OPENMP -D__FFTW
>> -D__MPI  -I/home/pooja/q-e-qe-6.2.0//include
>> -I/home/pooja/q-e-qe-6.2.0//FoX/finclude -I../include/ -I../../iotk/src
>> -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib
>> -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -I../../dft-d3/ -c
>> set_vrs.f90
>> f951: Warning: Nonexistent include directory ‘../include/’
>> [-Wmissing-include-dirs]
>> mpif90 -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__OPENMP -D__FFTW
>> -D__MPI  -I/home/pooja/q-e-qe-6.2.0//include
>> -I/home/pooja/q-e-qe-6.2.0//FoX/finclude -I../include/ -I../../iotk/src
>> -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib
>> -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -I../../dft-d3/ -c
>> setlocal.f90
>> f951: Warning: Nonexistent include directory ‘../include/’
>> [-Wmissing-include-dirs]
>> mpif90 -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__OPENMP -D__FFTW
>> -D__MPI  -I/home/pooja/q-e-qe-6.2.0//include
>> -I/home/pooja/q-e-qe-6.2.0//FoX/finclude -I../include/ -I../../iotk/src
>> -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib
>> -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -I../../dft-d3/ -c
>> setup.f90
>> f951: Warning: Nonexistent include directory ‘../include/’
>> [-Wmissing-include-dirs]
>> mpif90 -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__OPENMP -D__FFTW
>> -D__MPI  -I/home/pooja/q-e-qe-6.2.0//include
>> -I/home/pooja/q-e-qe-6.2.0//FoX/finclude -I../include/ -I../../iotk/src
>> -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib
>> -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -I../../dft-d3/ -c
>> spinor.f90
>> f951: Warning: Nonexistent include directory ‘../include/’
>> [-Wmissing-include-dirs]
>> mpif90 -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__OPENMP -D__FFTW
>> -D__MPI  -I/home/pooja/q-e-qe-6.2.0//include
>> -I/home/pooja/q-e-qe-6.2.0//FoX/finclude -I../include/ -I../../iotk/src
>> -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib
>> -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -I../../dft-d3/ -c
>> sph_ind.f90
>> f951: Warning: Nonexistent include directory ‘../include/’
>> [-Wmissing-include-dirs]
>> mpif90 -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__OPENMP -D__FFTW
>> -D__MPI  -I/home/pooja/q-e-qe-6.2.0//include
>> -I/home/pooja/q-e-qe-6.2.0//FoX/finclude -I../include/ -I../../iotk/src
>> -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib
>> -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -I../../dft-d3/ -c
>> stop_run.f90
>> f951: Warning: Nonexistent include directory ‘../include/’
>> [-Wmissing-include-dirs]
>> mpif90 -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__OPENMP -D__FFTW
>> -D__MPI  -I/home/pooja/q-e-qe-6.2.0//include
>> -I/home/pooja/q-e-qe-6.2.0//FoX/finclude -I../include/ -I../../iotk/src
>> -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib
>> -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -I../../dft-d3/ -c
>> stres_cc.f90
>> f951: Warning: Nonexistent include directory ‘../include/’
>> [-Wmissing-include-dirs]
>> mpif90 -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__OPENMP -D__FFTW
>> -D__MPI  -I/home/pooja/q-e-qe-6.2.0//include
>> -I/home/pooja/q-e-qe-6.2.0//FoX/finclude -I../include/ -I../../iotk/src
>> -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib
>> -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -I../../dft-d3/ -c
>> stres_ewa.f90
>> f951: Warning: Nonexistent include directory ‘../include/’
>> [-Wmissing-include-dirs]
>> mpif90 -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__OPENMP -D__FFTW
>> -D__MPI  -I/home/pooja/q-e-qe-6.2.0//include
>> -I/home/pooja/q-e-qe-6.2.0//FoX/finclude -I../include/ -I../../iotk/src
>> -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib
>> -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -I../../dft-d3/ -c
>> stres_gradcorr.f90
>> f951: Warning: Nonexistent include directory ‘../include/’
>> [-Wmissing-include-dirs]
>> mpif90 -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__OPENMP -D__FFTW
>> -D__MPI  -I/home/pooja/q-e-qe-6.2.0//include
>> -I/home/pooja/q-e-qe-6.2.0//FoX/finclude -I../include/ -I../../iotk/src
>> -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib
>> -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -I../../dft-d3/ -c
>> stres_har.f90
>> f951: Warning: Nonexistent include directory ‘../include/’
>> [-Wmissing-include-dirs]
>> mpif90 -O3 -g -fopenmp -x f95-cpp-input -fopenmp -D__OPENMP -D__FFTW
>> -D__MPI  -I/home/pooja/q-e-qe-6.2.0//include
>> -I/home/pooja/q-e-qe-6.2.0//FoX/finclude -I../include/ -I../../iotk/src
>> -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib
>> -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -
>>
>> ......
>>
>> Note that I hace gcc 9.3.0 version alrrady installed.
>>
>> Any kind of help is appreciated
>>
>> Thanks and regards
>>
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>
>>
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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