From 4fcf26fe690a6ea495f23a1c498ad3f41606ed2f Mon Sep 17 00:00:00 2001
From: Giovanni <giovanni.bussi@gmail.com>
Date: Fri, 23 Feb 2018 19:18:01 +0100
Subject: [PATCH] Update v2.4.md
---
CHANGES/v2.4.md | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/CHANGES/v2.4.md b/CHANGES/v2.4.md
index 171ab7943..9161adb58 100644
--- a/CHANGES/v2.4.md
+++ b/CHANGES/v2.4.md
@@ -164,9 +164,9 @@ Changes from version 2.3 which are relevant for developers:
## Version 2.4.1
For users:
- - Fixed an important bug affecting RMSD calculations with compilers supporting OpenMP 4 (e.g.: intel compiler). Notice that this bug affect not only
+ - Fixed an important bug affecting RMSD calculations with compilers supporting OpenMP 4 (e.g.: intel compiler). Notice that this bug might potentially affect not only
\ref RMSD variable, but also \ref PATHMSD variables using RMSD, \ref FIT_TO_TEMPLATE, \ref PCAVARS, and possibly other variables based on RMSD calculations and optimal alignments
- (see \issue{343}.
+ (see \issue{343}). Results might depend on the exact architecture and on how aggressive is the compiler. The bug is a consequence of some erroneous SIMD directives introduced in 2.4.0, so it does not affect PLUMED 2.3.x.
- Resolved a problem with \ref CS2BACKBONE and glycine atom names.
- Module VES: Fixed a bug with basis functions that have a constant function different from 1 (e.g. scaled version of the Legendre basis functions, \ref BF_LEGENDRE) that was causing a time-dependent shift in the bias potential.
- Module VES: In optimizers (\ref OPT_AVERAGED_SGD and \ref OPT_DUMMY) the output of quantities related to the instantaneous gradients are now off by default as these quantities are generally not useful for normal users, their output can instead by re-enabled by using the MONITOR_INSTANTANEOUS_GRADIENT keyword. Also added an keyword MONITOR_AVERAGE_GRADIENT that allows to monitor the averged gradient and output quantities related to it.
--
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