Hi Prof, Thanks for your reply. ?I will try to recompile with those flags.
As a side note, I have tried two other test cases. 1. I tried running my system on 1 processor with 110 GB memory. Phcg.x gave the same error. 2. Changed all potentials from the original PBE to LDA (pz-hgh). ?Phcg.x is running with these LDA potentials. 3. ?Reduced my system from 112 to 12 atoms but used the same PBE for the respective species. ?This reduced the required memory by a lot but Phcg.x gave the same error. Thanks, wee liat On Sunday, June 29, 2014 4:49 AM, Paolo Giannozzi <paolo.giannozzi at uniud.it> wrote: On Thu, 2014-06-26 at 18:48 -0700, weeliat wrote: > > phcg.x:69448 terminated with signal 11 at PC=4bf379 SP=7fffa63067a0. >? Backtrace: > /home-research/espresso/bin/phcg.x(gradrho_+0x3c9)[0x4bf379] > The scf calculation run well with no errors.? I wonder if it is a PP > problem or out of memory issue? it is impossible to know without some further info. The error is in subroutine "gradrho". If you recompile with debug flags on (-g or something similar) you may discover the exact line number where the error happens Paolo -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140629/b52f53d0/attachment.html
