<div dir="ltr">Sir, What about old versions of QE? <br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jun 23, 2020 at 7:09 PM Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com">p.giannozzi@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">QHA is no longer supported<br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jun 23, 2020 at 3:33 PM Pooja Vyas <<a href="mailto:poojavyas595@gmail.com" target="_blank">poojavyas595@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>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:</div><div><div><br></div><div><br></div><div>user@xyz:~/qe-6.5/QHA$ ./Compile</div><div>ifort -O3  -c  tetra.f<br>make: ifort: Command not found<br>make: *** [Makefile:26: tetra.o] Error 127<br>ifort -O3   -c  Debye.f90<br>make: ifort: Command not found<br>make: *** [Makefile:19: Debye.o] Error 127<br>ifort -FR -c  Mean_square_displacement.f90<br>make: ifort: Command not found<br>make: *** [Makefile:47: Mean_square_displacement.o] Error 127</div><div><br></div><div>How do I solve this problem?</div><div>Any kind of help is appreciated.</div><div>Thanks.</div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jun 23, 2020 at 6:52 PM Pietro Delugas <<a href="mailto:pdelugas@sissa.it" target="_blank">pdelugas@sissa.it</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div lang="EN-US"><div><p class="MsoNormal"><span><span style="font-size:12pt">Hi Pooja <u></u><u></u></span></span></p><p class="MsoNormal"><span><span style="font-size:12pt">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 <u></u><u></u></span></span></p><p class="MsoNormal"><span><span style="font-size:12pt">make install <u></u><u></u></span></span></p><p class="MsoNormal"><span><span style="font-size:12pt"><u></u> <u></u></span></span></p><p class="MsoNormal"><span><span style="font-size:12pt">Pietro<u></u><u></u></span></span></p><p class="MsoNormal"><span><span style="font-size:12pt"><u></u> <u></u></span></span></p><p class="MsoNormal">Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986" target="_blank">Mail</a> for Windows 10</p><p class="MsoNormal"><span><span style="font-size:12pt"><u></u> <u></u></span></span></p><div style="border-color:rgb(225,225,225) currentcolor currentcolor;border-style:solid none none;border-width:1pt medium medium;padding:3pt 0in 0in"><p class="MsoNormal" style="border:medium none;padding:0in"><b>From: </b><a href="mailto:poojavyas595@gmail.com" target="_blank">Pooja Vyas</a><br><b>Sent: </b>Tuesday, June 23, 2020 3:12 PM<br><b>To: </b><a href="mailto:users@lists.quantum-espresso.org" target="_blank">Quantum ESPRESSO users Forum</a><br><b>Subject: </b>Re: [QE-users] [External Email] Re: Error in compiling andinstalling QE</p></div><p class="MsoNormal"><span><span style="font-size:12pt"><u></u> <u></u></span></span></p><div><p class="MsoNormal">I'm trying to install in my own system..then what about permissions?</p></div><p class="MsoNormal"><u></u> <u></u></p><div><div><p class="MsoNormal">On Tue, 23 Jun 2020, 6:04 pm Hari Paudyal, <<a href="mailto:hpaudya1@binghamton.edu" target="_blank">hpaudya1@binghamton.edu</a>> wrote:</p></div><blockquote style="border-color:currentcolor currentcolor currentcolor rgb(204,204,204);border-style:none none none solid;border-width:medium medium medium 1pt;padding:0in 0in 0in 6pt;margin-left:4.8pt;margin-right:0in"><div><p class="MsoNormal">Hi Pooja,</p><div><p class="MsoNormal"><u></u> <u></u></p></div><div><p class="MsoNormal">I think you are working in a directory (user/local/bin) where you do not have permission. Ask your administrator/cluster manager for permission.</p></div><div><p class="MsoNormal"><u></u> <u></u></p></div><div><p class="MsoNormal">Best,</p></div><div><p class="MsoNormal">Hari Paudyal</p></div><div><p class="MsoNormal">Binghamton University, SUNY NY</p></div></div><p class="MsoNormal"><u></u> <u></u></p><div><div><p class="MsoNormal">On Mon, Jun 22, 2020 at 2:22 PM Pooja Vyas <<a href="mailto:poojavyas595@gmail.com" target="_blank">poojavyas595@gmail.com</a>> wrote:</p></div><blockquote style="border-color:currentcolor currentcolor currentcolor rgb(204,204,204);border-style:none none none solid;border-width:medium medium medium 1pt;padding:0in 0in 0in 6pt;margin-left:4.8pt;margin-right:0in"><div><div><p class="MsoNormal">Dear users,</p></div><div><p class="MsoNormal">I even met with an error after the command "make install" which are as follows:</p></div><div><p class="MsoNormal"><u></u> <u></u></p></div><div><p class="MsoNormal"><u></u> <u></u></p></div><div><p class="MsoNormal">cp: cannot create regular file '/usr/local/bin/wfdd.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/cppp.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/cp.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/manycp.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/head.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/bse_main.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/gww.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/gww_fit.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/pw4gww.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/neb.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/path_interpolation.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/phcg.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/fd_ef.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/fd_ifc.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/fd.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/ph.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/q2qstar.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/lambda.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/alpha2f.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/q2r.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/dynmat.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/matdyn.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/q2trans.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/fqha.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/q2trans_fd.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/wannier_ham.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/fermi_proj.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/wannier_plot.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/dos.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/plan_avg.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/pmw.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/bgw2pw.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/pw_export.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/epsilon.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/bands.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/plotproj.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/average.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/pawplot.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/projwfc.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/plotrho.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/wfck2r.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/plotband.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/fs.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/sumpdos.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/pw2bgw.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/fermi_velocity.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/importexport_binary.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/pw2wannier90.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/initial_state.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/pp.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/pw2gw.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/molecularpdos.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/pw.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/generate_vdW_kernel_table.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/generate_rVV10_kernel_table.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/pwi2xsf.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/kpoints.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/ev.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/ibrav2cell.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/pwcond.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/iotk_print_kinds.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/iotk.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/turbo_lanczos.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/turbo_davidson.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/turbo_eels.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/turbo_spectrum.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/molecularnexafs.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/xspectra.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/spectra_correction.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/ld1.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/test.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/interpolate.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/uspp2upf.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/fhi2upf.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/read_upf_tofile.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/rrkj2upf.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/oldcp2upf.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/vdb2upf.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/fpmd2upf.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/virtual.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/upf2casino.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/ncpp2upf.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/casino2upf.x': Permission denied<br>cp: cannot create regular file '/usr/local/bin/cpmd2upf.x': Permission denied<br>make: *** [Makefile:273: install] Error 1</p></div></div><p class="MsoNormal"><u></u> <u></u></p><div><div><p class="MsoNormal">On Mon, Jun 22, 2020 at 11:41 PM Pooja Vyas <<a href="mailto:poojavyas595@gmail.com" target="_blank">poojavyas595@gmail.com</a>> wrote:</p></div><blockquote style="border-color:currentcolor currentcolor currentcolor rgb(204,204,204);border-style:none none none solid;border-width:medium medium medium 1pt;padding:0in 0in 0in 6pt;margin-left:4.8pt;margin-right:0in"><div><div><p class="MsoNormal">Dear users,</p></div><div><p class="MsoNormal">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?</p></div><div><p class="MsoNormal">f951: Warning: Nonexistent include directory ‘../include/’ [-Wmissing-include-dirs]<br>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<br>f951: Warning: Nonexistent include directory ‘../include/’ [-Wmissing-include-dirs]<br>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<br>f951: Warning: Nonexistent include directory ‘../include/’ [-Wmissing-include-dirs]<br>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<br>f951: Warning: Nonexistent include directory ‘../include/’ [-Wmissing-include-dirs]<br>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<br>f951: Warning: Nonexistent include directory ‘../include/’ [-Wmissing-include-dirs]<br>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<br>f951: Warning: Nonexistent include directory ‘../include/’ [-Wmissing-include-dirs]<br>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<br>f951: Warning: Nonexistent include directory ‘../include/’ [-Wmissing-include-dirs]<br>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<br>f951: Warning: Nonexistent include directory ‘../include/’ [-Wmissing-include-dirs]<br>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<br>f951: Warning: Nonexistent include directory ‘../include/’ [-Wmissing-include-dirs]<br>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<br>f951: Warning: Nonexistent include directory ‘../include/’ [-Wmissing-include-dirs]<br>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<br>f951: Warning: Nonexistent include directory ‘../include/’ [-Wmissing-include-dirs]<br>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 -</p></div><div><p class="MsoNormal">......</p></div><div><p class="MsoNormal">Note that I hace gcc 9.3.0 version alrrady installed.</p></div><div><p class="MsoNormal">Any kind of help is appreciated</p></div><div><p class="MsoNormal">Thanks and regards</p></div></div></blockquote></div><p class="MsoNormal">_______________________________________________<br>Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></p></blockquote></div></blockquote></div><p class="MsoNormal" style="margin-left:4.8pt">_______________________________________________<br>Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></p><p class="MsoNormal"><span><span style="font-size:12pt"><u></u> <u></u></span></span></p></div></div>_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all"><br>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div>