Dear Pandey Thank you for your post. I even tried to increase ecutwfc upto 50Ry and nbnd=16 but failed and got the same error.
On Thu, Apr 4, 2013 at 9:36 PM, Bramha Pandey <pandey.bramha at gmail.com>wrote: > You may be try with incresing the ecut cuoff value in your input file, it > may be around 18Ry and incresed it upto approx 35 Ry, if it works then see > the reason for that increased value of this ecut cutoff. > > > On Thu, Apr 4, 2013 at 3:49 PM, Krishna chaitanya < > krishnachaitanya.gunturu at gmail.com> wrote: > >> Dear Prof. Paolo Giannozzi >> >> My sincere apologies for the incomplete details about my issue. I am >> using PWSCF version 5.0 compiled with intel fortran 12.1.6 version, >> gfortran 4.7.2 and mpich 3.0.2 environment. >> >> When I am trying to do band structure calculation according to webpage * >> http://people.sissa.it/~degironc/QE-Tutorial/examples_pwscf_ex.tgz *I am >> getting the following error for silicon case. >> >> *Program received signal SIGSEGV: Segmentation fault - invalid memory >> reference.* >> * >> * >> *Backtrace for this error:* >> *#0 0x2B8949244F27* >> *#1 0x2B89492454F4* >> *#2 0x3D036302CF* >> *#3 0x2B894A53B270* >> *#4 0x2B894825748C* >> *#5 0x2B89473DC47D* >> *#6 0x411782 in cgracsc_ at cgracsc.f90:67* >> *#7 0x4084D8 in punch_band_ at bands.f90:331* >> *#8 0x40951E in do_bands at bands.f90:112* >> * >> * >> *[1]+ Segmentation fault ../bin/bands.x < bands.in > bands.out* >> >> Moreover nothing is written in bands.out and bands.dat files. I hope with >> this information I will get solution for the above error. >> >> >> >> On Wed, Apr 3, 2013 at 6:49 PM, Paolo Giannozzi <paolo.giannozzi at uniud.it >> > wrote: >> >>> On Wed, 2013-04-03 at 11:22 +0530, Krishna chaitanya wrote: >>> >>> > Please suggest me how to solve this problem. >>> >>> please see page http://www.quantum-espresso.org/?page_id=26 >>> section "Reporting Bugs". There is no way anybody can suggest >>> anything without a clear explanation of which exact operations >>> have been done, on which version of the code, etc. etc. >>> >>> P. >>> >>> -- >>> Paolo Giannozzi, Dept. Chemistry&Physics&Environment, >>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy >>> Phone +39-0432-558216, fax +39-0432-558222 >>> >>> _______________________________________________ >>> Pw_forum mailing list >>> Pw_forum at pwscf.org >>> http://pwscf.org/mailman/listinfo/pw_forum >>> >> >> >> >> -- >> With Best Regards >> >> Dr. G. Krishna Chaitanya >> Assistant Professor >> School of Chemical Sciences >> SRTM University >> Nanded-431 606 >> India. >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > Thanks and Regards > Bramha Prasad Pandey > Indian School of Mines(ISM) > Dhanbad, INDIA. > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- With Best Regards Dr. G. Krishna Chaitanya Assistant Professor School of Chemical Sciences SRTM University Nanded-431 606 India. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130405/c35af91c/attachment.html
