Dear Prof. Giannozzi, I have found that removing 'ecutrho' from the input file makes the job to run.
Thank you - Madan > Date: Thu, 30 Sep 2010 12:40:14 -0700 (PDT) > From: "Madan Mithra. L. M" <snd2mra at yahoo.com> > Subject: [Pw_forum] EXX on 1D supercells fail > To: pw_forum at pwscf.org > Message-ID: <38919.63978.qm at web53308.mail.re2.yahoo.com> > Content-Type: text/plain; charset=us-ascii > > Dear All, > > I compiled the latest version of pwscf (4.2.1) on IBM > Power5 machine (xlf compiler) as well as on Dell Cluster > (Intel ifort 11.1.056). In both cases, calculation including > EXX (PBE0) fails on 1D supercell. However, the same job ran > without dumping the core with pwscf 4.1.3. Any suggestion ? > I would like to use the latest version as it supports > restarting the EXX calculation. > > Thank you > > - Madan ---------------------------------------- Madan Mithra .L.M Senior Research Fellow Dept.of Physics Indian Institute of Science Bangalore - 560 012 INDIA ......................................... e-mail : mit at physics.iisc.ernet.in : snd2mra at yahoo.com Phone : 91-80-22932313 (Lab) FAX : (080) 360 2602 -----------------------------------------