From 0ba48bbbe9e64d668bad8ff3b809917429409eb8 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gt@eider.asg>
Date: Fri, 18 Oct 2013 09:40:47 +0100
Subject: [PATCH] Small fix for MultiColvar with replica exchange
The code was crashing with an error during exchange steps when
not using a neighbor list. It now only crashes if the neighbor list
frequency is not the same as the exchange step frequency. This is
as it should be.
---
src/vesselbase/ActionWithVessel.cpp | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/src/vesselbase/ActionWithVessel.cpp b/src/vesselbase/ActionWithVessel.cpp
index e78edfaf0..910559e68 100644
--- a/src/vesselbase/ActionWithVessel.cpp
+++ b/src/vesselbase/ActionWithVessel.cpp
@@ -220,7 +220,7 @@ void ActionWithVessel::doJobsRequiredBeforeTaskList(){
}
void ActionWithVessel::runAllTasks(){
- if( getExchangeStep() && !contributorsAreUnlocked ) error("contributors must be unlocked during exchange steps");
+ if( getExchangeStep() && nactive_tasks!=fullTaskList.size() ) error("contributors must be unlocked during exchange steps");
plumed_massert( functions.size()>0, "you must have a call to readVesselKeywords somewhere" );
unsigned stride=comm.Get_size();
unsigned rank=comm.Get_rank();
--
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