Hi Samuel,
Indeed, I've tested running in serial with spin, and it does work nicely - at least in the case of Si, which I have tested. So it is quite surely an MPI problem.
Best regards,
Markus
Search found 3 matches
- Thu Jun 14, 2012 2:12 pm
- Forum: Many-body perturbation theory
- Topic: Self-consistent GW with spin fails in parallel with PAW
- Replies: 4
- Views: 6298
- Thu Jun 14, 2012 10:13 am
- Forum: Many-body perturbation theory
- Topic: gw_sigxcore and CORE_files
- Replies: 1
- Views: 2895
Re: gw_sigxcore and CORE_files
Dear Luca, as an example, see $ABINIT-INSTALL-DIR/tests/Psps_for_tests/CORE_si_ps.736.lda You can generate these files during PAW generation with atompaw, by setting prtcorewf in the abinit output options. The resulting *_core_density.dat file has to be renamed to CORE_* and the path has to be appen...
- Wed Jun 13, 2012 3:12 pm
- Forum: Many-body perturbation theory
- Topic: Self-consistent GW with spin fails in parallel with PAW
- Replies: 4
- Views: 6298
Self-consistent GW with spin fails in parallel with PAW
Dear community and abinit developers, I've encountered an error during self-consistent GW calculations with abinit v6.12.3. Please consider the QPscGW run for Si with PAW below. - It runs fine with just one spin, but fails with two spins. Of course, that's pointless for Si, but I found the same prob...