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@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 <[email protected]> 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 <[email protected]> > *Sent: *Tuesday, June 23, 2020 3:12 PM > *To: *Quantum ESPRESSO users Forum <[email protected]> > *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, <[email protected]> > 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 <[email protected]> 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 <[email protected]> > 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 [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing 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