mirror of https://gitlab.com/QEF/q-e.git
Report MPI changes
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10506 c92efa57-630b-4861-b058-cf58834340f0
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@ -18,6 +18,12 @@ New in svn version
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Incompatible changes in svn version:
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Incompatible changes in svn version:
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* Initialization of MPI modified in order to simplify usage of QE routines
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from external codes. It is now possible to run an instance of QE into a
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mpi communicator passed by the external routine. Changes affect a few MPI
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initialization routines (e.g. mp_start) and some MPI related modules;
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the communicator must be explicitly specified when calling mp_* interfaces
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to low-level MPI libraries.
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* Input variable "london" should be replaced by " vdw_corr='Grimme-D2' "
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* Input variable "london" should be replaced by " vdw_corr='Grimme-D2' "
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* Routine "electrons" doesn't deal any longer with non-scf cases;
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* Routine "electrons" doesn't deal any longer with non-scf cases;
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Use routine "non_scf" instead.
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Use routine "non_scf" instead.
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