[Pw_forum] EXX on 1D supercells fail

[Madan Mithra. L. M]

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
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