Dear all, Thank you for your replies. I was able to resolve it by the suggestion (./configure --enable-xml) from Dr. Mitsuaki Kawamura in qe-6.1 version. Sorry for reputation of the mails due to some technical problem of my E-mail.
Regards N. Yedukondalu On Fri, Nov 3, 2017 at 6:13 PM, Yedu Kondalu <[email protected]> wrote: > Dear > > *Karim Elgammal,* > > > * Thank you for your reply. I am not switching from fixed to tetrahedra > method, both the methods were used separately. I want to use tetrahedra > method to calculate the DOS. When use the occupations=tetrahedra, I am > getting the above specified error. * > > *Regards* > > *N. Yedukondalu* > > On Thu, Nov 2, 2017 at 10:41 PM, Yedu Kondalu <[email protected]> wrote: > >> Dear Users and Experts, >> >> I am using QE v.6.1. I ran DOS calculation for Silicon using >> Occupations='fixed' in 'scf' and 'nscf' calculations and it was finished >> successfully and dos output file is created. However, when I used >> occupations='tetrahedra' in nscf (both scf and nscf), the dos.x calculation >> was terminated with the following error (I have tried for couple of >> systems apart from Si). Now, my question is how to use >> occupations='tetrahedra' in scf and nscf calculations to compute the DOS >> for any system. Input files are attached. >> >> forrtl: severe (174): SIGSEGV, segmentation fault occurred >> Image PC Routine Line >> Source >> dos.x 0000000000687DBD qexml_module_mp_q 3753 >> qexml.f90 >> dos.x 00000000005270DD pw_restart_mp_rea 2101 >> pw_restart.f90 >> dos.x 00000000005239EC pw_restart_mp_pw_ 1057 >> pw_restart.f90 >> dos.x 0000000000408A7B read_xml_file_ 98 >> read_file.f90 >> dos.x 000000000040432B MAIN__ 95 >> dos.f90 >> dos.x 000000000040422C Unknown Unknown >> Unknown >> libc.so.6 00002AF83A1E9EC5 Unknown Unknown >> Unknown >> dos.x 0000000000404129 Unknown Unknown >> Unknown >> >> Thank you, >> >> Regards >> N. Yedukondalu, >> IICT, Hyderabad >> > >
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
