Merge pull request QMCPACK#5159 from prckent/fixtest211

Fix diamond 2x1x1 unit test with mixed precision debug
rcclay · Sep 8, 2024 · f299cf1 · f299cf1
2 parents 0cd16e6 + cdb0be5
commit f299cf1
Showing 1 changed file with 4 additions and 4 deletions.
diff --git a/src/QMCWaveFunctions/tests/test_TrialWaveFunction_diamondC_2x1x1.cpp b/src/QMCWaveFunctions/tests/test_TrialWaveFunction_diamondC_2x1x1.cpp
@@ -51,7 +51,7 @@ template<class DiracDet, class SPO_precision>
 void testTrialWaveFunction_diamondC_2x1x1(const int ndelay, const OffloadSwitches& offload_switches)
 {
 #if defined(MIXED_PRECISION)
-  const double grad_precision  = 1.3e-4;
+  const double grad_precision  = 1e-3;
   const double ratio_precision = 2e-4;
 #else
   const double grad_precision  = std::is_same<SPO_precision, float_tag>::value ? 1.3e-4 : 1e-8;
@@ -227,8 +227,8 @@ void testTrialWaveFunction_diamondC_2x1x1(const int ndelay, const OffloadSwitche
   CHECK(r_all_val == ComplexApprox(std::complex<RealType>(0.1248738460467855, 0)).epsilon(2e-5));
   CHECK(r_fermionic_val == ComplexApprox(std::complex<RealType>(0.1362181543980086, 0)).epsilon(2e-5));
 #else
-  CHECK(r_all_val == Approx(0.1248738460469678));
-  CHECK(r_fermionic_val == ValueApprox(0.1362181543982075));
+  CHECK(r_all_val == Approx(0.1248738460469678).epsilon(1e-4));
+  CHECK(r_fermionic_val == ValueApprox(0.1362181543982075).epsilon(1e-4));
 #endif
   CHECK(r_bosonic_val == ValueApprox(0.9167195562048454));
 
@@ -239,7 +239,7 @@ void testTrialWaveFunction_diamondC_2x1x1(const int ndelay, const OffloadSwitche
 #if defined(QMC_COMPLEX)
   CHECK(psi.getLogPsi() == Approx(-6.626861768296886).epsilon(5e-5));
 #else
-  CHECK(psi.getLogPsi() == Approx(-8.013162503965223));
+  CHECK(psi.getLogPsi() == Approx(-8.013162503965223).epsilon(1e-4));
 #endif
 
   elec_.update(true);