I also have mpiifor: which mpiifort /opt/intel/compilers_and_libraries_2017.1.132/linux/mpi/intel64/bin/mpiifort
Thanks! Best regards, LIANG Xiongyi Postdoctoral Fellow City University of Hong Kong From: LEUNG Clarence<mailto:liangxy...@hotmail.com> Sent: 2020年10月13日 11:29 To: Quantum ESPRESSO users Forum<mailto:users@lists.quantum-espresso.org> Subject: Re: [QE-users] Error in ph.x Dear Lorenzo, Thanks for your suggestion. When I compile QE6.6, an error happens as follows: configure error fortran could not compile .f90 files I have checked the gfortran in my PC: GNU Fortran (GCC) 4.8.3 20140911 (Red Hat 4.8.3-9) And its direction is /usr/bin/gfortran Thanks! Best regards, Clarence From: Lorenzo Paulatto<mailto:paul...@gmail.com> Sent: 2020年10月13日 1:00 To: users@lists.quantum-espresso.org<mailto:users@lists.quantum-espresso.org> Subject: Re: [QE-users] Error in ph.x use qe6.5 or 6.6 regards On 10/12/20 6:52 PM, LEUNG Clarence wrote: > The Version of QE I used is QE630. Thanks. > > > > -------- Original message -------- > From: LEUNG Clarence <liangxy...@hotmail.com> > Date: 13/10/2020 00:50 (GMT+08:00) > To: users@lists.quantum-espresso.org > Subject: [QE-users] Error in ph.x > > Dear QEuser, > > Recently, I come across a problem in runing ph.x as follow: > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > Error in routine phq_readin (1): > The phonon code with LDA+U is not yet available > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > This is a system must include DFT+U method. If I do not use DFT+U in > scf, it cannot converge even at 1000 steps. > > It is very appricated that give me some advices. > > Best regards, > Clarence > Postdoc > Department of Materials Science and Engineering > City Univeristy of Hong Kong > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX > (www.max-centre.eu<http://www.max-centre.eu>) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users > -- Lorenzo Paulatto - Paris _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu<http://www.max-centre.eu>) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users