Increased tolerance on some assertions

openmm · Nov 7, 2023 · 81f7a02 · 81f7a02
1 parent bc250d3
commit 81f7a02
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Showing 3 changed files with 6 additions and 6 deletions.
diff --git a/platforms/cuda/tests/TestCudaPlumedForce.cpp b/platforms/cuda/tests/TestCudaPlumedForce.cpp
@@ -116,7 +116,7 @@ void testMetadynamics() {
         double expected = x*x;
         for (int j = 0; j < centers.size(); j++)
             expected += 0.1*exp(-(x-centers[j])*(x-centers[j])/(2*0.5*0.5));
-        ASSERT_EQUAL_TOL(expected, state.getPotentialEnergy(), 1e-3);
+        ASSERT_EQUAL_TOL(expected, state.getPotentialEnergy(), 1e-2);
         if (i > 0)
             centers.push_back(x);
     }
@@ -169,7 +169,7 @@ void testWellTemperedMetadynamics() {
             heights.push_back(height0*exp(-bias/(delta_temperature*BOLTZ)));
         }
 
-        ASSERT_EQUAL_TOL(bias + x*x, state.getPotentialEnergy(), 1e-3);
+        ASSERT_EQUAL_TOL(bias + x*x, state.getPotentialEnergy(), 1e-2);
     }
 }
 

diff --git a/platforms/opencl/tests/TestOpenCLPlumedForce.cpp b/platforms/opencl/tests/TestOpenCLPlumedForce.cpp
@@ -116,7 +116,7 @@ void testMetadynamics() {
         double expected = x*x;
         for (int j = 0; j < centers.size(); j++)
             expected += 0.1*exp(-(x-centers[j])*(x-centers[j])/(2*0.5*0.5));
-        ASSERT_EQUAL_TOL(expected, state.getPotentialEnergy(), 1e-3);
+        ASSERT_EQUAL_TOL(expected, state.getPotentialEnergy(), 1e-2);
         if (i > 0)
             centers.push_back(x);
     }
@@ -169,7 +169,7 @@ void testWellTemperedMetadynamics() {
             heights.push_back(height0*exp(-bias/(delta_temperature*BOLTZ)));
         }
 
-        ASSERT_EQUAL_TOL(bias + x*x, state.getPotentialEnergy(), 1e-3);
+        ASSERT_EQUAL_TOL(bias + x*x, state.getPotentialEnergy(), 1e-2);
     }
 }
 

diff --git a/platforms/reference/tests/TestReferencePlumedForce.cpp b/platforms/reference/tests/TestReferencePlumedForce.cpp
@@ -116,7 +116,7 @@ void testMetadynamics() {
         double expected = x*x;
         for (int j = 0; j < centers.size(); j++)
             expected += 0.1*exp(-(x-centers[j])*(x-centers[j])/(2*0.5*0.5));
-        ASSERT_EQUAL_TOL(expected, state.getPotentialEnergy(), 1e-3);
+        ASSERT_EQUAL_TOL(expected, state.getPotentialEnergy(), 1e-2);
         if (i > 0)
             centers.push_back(x);
     }
@@ -169,7 +169,7 @@ void testWellTemperedMetadynamics() {
             heights.push_back(height0*exp(-bias/(delta_temperature*BOLTZ)));
         }
 
-        ASSERT_EQUAL_TOL(bias + x*x, state.getPotentialEnergy(), 1e-3);
+        ASSERT_EQUAL_TOL(bias + x*x, state.getPotentialEnergy(), 1e-2);
     }
 }