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

Paolo Giannozzi p.giannozzi at gmail.com
Tue Jun 23 16:32:02 CEST 2020 

QHA hasn't changed in the last few years. It still works but you have to
figure out how to compile and run it.


On Tue, Jun 23, 2020 at 3:41 PM Pooja Vyas <poojavyas595 at gmail.com> wrote:

> Sir, What about old versions of QE?
>
> On Tue, Jun 23, 2020 at 7:09 PM Paolo Giannozzi <p.giannozzi at gmail.com>
> wrote:
>
>> 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
>>
>> _______________________________________________
>> 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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