Merge pull request #305 from drroe/intel_math

Flags to avoid some math issues from aggressive optimizaitons from Intel compilers
Amber-MD · Apr 25, 2016 · ed500eb · ed500eb
2 parents c94db0f + 48ecf71
commit ed500eb
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/configure b/configure
@@ -388,7 +388,7 @@ SetCompilerOptions() {
       if [ -z "$CC" ]; then CC=icc; fi
       if [ -z "$CXX" ]; then CXX=icpc; fi
       if [ -z "$FC" ]; then FC=ifort; fi
-      OPTFLAGS="-O3 -Wall"
+      OPTFLAGS="-O3 -Wall -fp-model precise -fp-model source"
       OMPFLAGS="-openmp"
       FFLAGS="-FR"
       FOPTFLAGS="-ip -O3"

diff --git a/test/Test_CurveFit/RunTest.sh b/test/Test_CurveFit/RunTest.sh
@@ -32,7 +32,7 @@ runanalysis curvefit Data.dat nexp 2 name PKFitY form mexpk_penalty \
 EOF
 RunCpptraj "Curve fitting multi-exponential tests."
 DoTest curve.dat.save curve1.dat
-DoTest Kcurve.dat.save Kcurve.dat -r 0.0002
+DoTest Kcurve.dat.save Kcurve.dat -r 0.0009
 # Differences in windows seem like round-off
 DoTest PKcurve.dat.save PKcurve.dat -r 0.0003
 DoTest Results.dat.save Results.dat -r 0.006