From 6721223203af30ed2fff7fdeaff9412ba2acd882 Mon Sep 17 00:00:00 2001 From: Gregor Michalicek Date: Tue, 29 Aug 2017 13:12:29 +0200 Subject: [PATCH] Add stop for EELS+MPI This combination does not work at the moment. --- cdn/cdnval.F90 | 1 + 1 file changed, 1 insertion(+) diff --git a/cdn/cdnval.F90 b/cdn/cdnval.F90 index cdcf6d52..0415c763 100644 --- a/cdn/cdnval.F90 +++ b/cdn/cdnval.F90 @@ -329,6 +329,7 @@ CONTAINS ! calculation of core spectra (EELS) initializations -start- CALL corespec_init(atoms) + IF(l_cs.AND.(mpi%isize.NE.1)) CALL juDFT_error('EELS + MPI not implemented', calledby = 'cdnval') IF(l_cs.AND.jspin.EQ.1) CALL corespec_gaunt() ! calculation of core spectra (EELS) initializations -end- -- GitLab