From: Andrey Alekseenko <al42and@gmail.com>
Date: Tue, 21 Sep 2021 12:21:15 +0000 (+0300)
Subject: Fix rare UB / assertion failure in MdlibUnitTest
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=5ac8cda6fbe06ad272cd487108bfc0df0bcbb8ad;p=alexxy%2Fgromacs.git

Fix rare UB / assertion failure in MdlibUnitTest

In LeapFrogHostTestRunner::integrate, we were checking whether
testData->mdAtoms_.ptype is null, but we were not initializing this
field.

This was leading to occasional assertion failure in
ArrayRef constructor from this pointer when begin+size was overflowing,
which caused end < begin.

Only unit tests were affected.
---

diff --git a/src/gromacs/mdlib/tests/leapfrogtestdata.cpp b/src/gromacs/mdlib/tests/leapfrogtestdata.cpp
index 9d1f7780be..3f66855450 100644
--- a/src/gromacs/mdlib/tests/leapfrogtestdata.cpp
+++ b/src/gromacs/mdlib/tests/leapfrogtestdata.cpp
@@ -170,6 +170,7 @@ LeapFrogTestData::LeapFrogTestData(int        numAtoms,
     mdAtoms_.haveVsites               = false;
     mdAtoms_.havePartiallyFrozenAtoms = false;
     mdAtoms_.cFREEZE                  = nullptr;
+    mdAtoms_.ptype                    = nullptr;
 
     update_ = std::make_unique<Update>(inputRecord_, nullptr);
     update_->updateAfterPartition(numAtoms,