Always write the input MDP file for testing just before the grompp call
commit77857603c32c63ad8405333af68af619a2512eae
authorAleksei Iupinov <a.yupinov@gmail.com>
Fri, 12 Jan 2018 10:55:17 +0000 (12 11:55 +0100)
committerAleksei Iupinov <a.yupinov@gmail.com>
Tue, 16 Jan 2018 14:01:42 +0000 (16 15:01 +0100)
tree2781b5abc2f525c6c8e58c71a3948cee0d911ad2
parentc77f1818bd25fd9afd495750e32505af4cf13261
Always write the input MDP file for testing just before the grompp call

This should hopefully help avoid the race issue that was
briefly observed with the multi-rank PME test
(the input MDP was occasionally garbled by multiple writes).

Change-Id: Ib624825f79a3dc7b6d3f5e81d8e6b5907f27b35a
src/programs/mdrun/tests/moduletest.cpp
src/programs/mdrun/tests/moduletest.h