Fix md -cpi -noappend
commit732704c7edd6168cf3c6cb081e49a9cba09f2475
authorPaul Bauer <paul.bauer.q@gmail.com>
Mon, 30 Apr 2018 09:44:08 +0000 (30 11:44 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 4 May 2018 14:38:01 +0000 (4 16:38 +0200)
treede4b5fb110be0d907a1de79d709b0f9eab6d3a73
parentdc6c99605d5ce3ad4859186cdd3d9a09c39fd925
Fix md -cpi -noappend

Apparently the noappend option for mpi has been broken when the
checkpoint file reading was refactored. This fixes the issue by properly
setting the simulation_part variable in the ir from the checkpoint file.

Fixes: #2494

Change-Id: Ic1cfe6c15d725edda4a54d8a93bd6b0734db7d3a
src/gromacs/fileio/checkpoint.cpp