[Pw_forum] v5.0.2 phcg error (out of memory?)

2014-06-29 Thread weeliat
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 r

[Pw_forum] v5.0.2 phcg error (out of memory?)

2014-06-29 Thread Paolo Giannozzi
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

[Pw_forum] v5.0.2 phcg error (out of memory?)

2014-06-26 Thread weeliat
Hi, I experienced this error when i running phcg.x phcg.x:69448 terminated with signal 11 at PC=4bf379 SP=7fffa63067a0. ?Backtrace: /home-research/espresso/bin/phcg.x(gradrho_+0x3c9)[0x4bf379] /home-research/espresso/bin/phcg.x(cg_setupdgc_+0xb68)[0x443c48] /home-research/espresso/bin/phcg.x(cg_s