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Expert Summary

Colums Filter

Source Function Level Max Time Over Threads (s) Time w.r.t. Wall Time (s) Coverage (% app. time) Speedup if no scalar integer Speedup if FP arith vectorized Speedup if fully vectorized Speedup if FP only Number of paths Vectorization Ratio (%) Vector Length Use (%) Flops (GFLOP/s) CQA cycles CQA cycles if no scalar integer CQA cycles if FP arith vectorized CQA cycles if fully vectorized CQA cycles if FP only
IDModuleSource LocationSource FunctionLevelMax Time Over Threads (s)Time w.r.t. Wall Time (s)Coverage (% app. time)Speedup if no scalar integerSpeedup if FP arith vectorizedSpeedup if fully vectorizedSpeedup if FP onlyNumber of pathsVectorization Ratio (%)Vector Length Use (%)Flops (GFLOP/s)CQA cyclesCQA cycles if no scalar integerCQA cycles if FP arith vectorizedCQA cycles if fully vectorizedCQA cycles if FP only
Loop 1141execMultiBsplineRef.hpp:68-71miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Innermost30.2430.8418.751.001.001.001.001100.00100.000.006.006.006.006.006.00
Loop 1183execMultiBsplineRef.hpp:242-262miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost21.4119.4711.841.091.004.001.4010.0025.000.008.758.008.752.196.25
Loop 3289execSoaDistanceTableAAOMPTarget.h:440-442,VectorSoAContainer.h:243-244,VectorSoAContainer.h:263-263,TinyVector.h:182-182qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Innermost21.9514.588.861.381.004.007.3310.0025.000.007.335.337.331.831.00
Loop 4214execParticleBConds3DSoa.h:280-298,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost8.828.615.232.921.004.001.2510.0025.000.008.753.008.752.197.00
Loop 394execBsplineFunctor.h:236-241miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost2.141.971.21.591.005.6717.0065610.0018.950.008.505.338.501.500.50
Loop 1442execstl_algobase.h:939-940miniqmcreference::DiracDeterminantRef >::resize(int, int)Innermost1.251.310.81.001.001.257.501100.0080.000.007.507.507.506.001.00
Loop 3457execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Single1.661.040.631.001.001.001.21 - 1.21165.5777.870.0017.0017.0017.0017.0014.00 - 14.08
Loop 3456execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Innermost1.360.990.61.001.001.001.21 - 1.21165.5777.870.0017.0017.0017.0017.0014.00 - 14.08
Loop 699execTwoBodyJastrowRef.h:342-347miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost1.630.810.491.001.001.001.501100.00100.000.003.003.003.003.002.00
Loop 1179execMultiBsplineRef.hpp:276-286miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost0.840.790.481.001.004.002.6710.0025.000.0012.0012.0012.003.004.50
Loop 1382execinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.690.580.351.001.711.401.001100.0063.640.004.004.002.332.864.00
Loop 317execTwoBodyJastrowRef.h:155-156miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.970.510.311.001.001.001.001100.00100.000.002.002.002.002.002.00
Loop 1376execinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Innermost0.640.480.291.001.861.371.001100.0066.670.004.004.002.152.924.00
Loop 1374execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.430.380.231.001.001.001.001100.00100.000.002.002.002.002.002.00
Loop 695execTwoBodyJastrowRef.h:324-331,stl_vector.h:1128-1128miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.590.350.211.001.004.001.6710.0025.000.0013.3313.3313.333.338.00
Loop 321execBsplineFunctor.h:291-297miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.530.320.22.111.006.7515.0065610.0018.750.0011.255.3311.251.670.75
Loop 1383execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.430.310.191.001.001.001.001100.00100.000.002.002.002.002.002.00
Loop 1187execeinspline_spo_ref.hpp:223-227,TinyVector.h:145-145miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Innermost0.380.250.151.001.003.6012.00111.1127.780.0012.0012.0012.003.331.00
Loop 683execBsplineFunctor.h:291-297miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.290.180.112.111.006.7515.0065610.0018.750.0011.255.3311.251.670.75
Loop 3592execstl_algobase.h:951-952qmcplusplus::Vector > >::resize(unsigned long, double)Innermost0.260.170.11.001.001.001.001100.00100.000.001.001.001.001.001.00
Loop 1407execinner_product.hpp:211-212miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.190.140.091.001.003.701.00114.2928.570.007.007.007.001.897.00
Loop 66execunique_ptr.h:193-193,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,ParticleSet.h:277-277,VectorSoAContainer.h:231-231,OhmmsVector.h:229-229,OperatorTags.h:43-43,OperatorTags.h:63-63,TinyVector.h:145-145,stl_vector.h:993-993,stl_vector.h:1131-1131main._omp_fn.1InBetween0.170.120.072.251.465.096.50614.2927.680.009.754.336.671.921.50
Loop 1368execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.20.110.071.001.001.001.001100.00100.000.002.002.002.002.002.00
Loop 3890execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Innermost0.180.110.061.001.001.001.21 - 1.21165.5777.870.0017.0017.0017.0017.0014.00 - 14.08
Loop 3892execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Innermost0.150.090.061.001.001.001.21 - 1.21165.5777.870.0017.0017.0017.0017.0014.00 - 14.08
Loop 3411execParticleBConds3DSoa.h:237-255qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)Innermost0.140.080.051.001.001.001.21 - 1.21165.5777.870.0017.0017.0017.0017.0014.00 - 14.08
Loop 1399execinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.10.080.051.001.711.401.001100.0063.640.004.004.002.332.864.00
Loop 395execBsplineFunctor.h:246-260,stl_vector.h:1147-1147miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.110.080.051.001.001.001.60175.56100.000.0040.0040.0040.0040.0025.00
Loop 954execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.140.070.041.001.001.001.001100.00100.000.002.002.002.002.002.00
Loop 1136execBsplineAllocator.hpp:179-180,stl_vector.h:1128-1128qmcplusplus::BsplineAllocator >::setCoefficientsForOrbitals(int, int, Array&, multi_UBspline_3d_d*) [clone ._omp_fn.0]Innermost0.060.070.041.001.002.002.671100.0050.000.0010.6710.6710.675.334.00
Loop 1367execinner_product.hpp:155-155,OperatorTags.h:63-63,OperatorTags.h:94-94miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.090.060.041.001.861.371.001100.0066.670.004.004.002.152.924.00
Loop 711execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.090.050.031.001.001.001.001100.00100.000.002.002.002.002.002.00
Loop 282execBsplineFunctor.h:236-241miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.090.050.031.591.005.6717.0065610.0018.950.008.505.338.501.500.50
Loop 320execBsplineFunctor.h:276-276,BsplineFunctor.h:283-284,BsplineFunctor.h:291-298,BsplineFunctor.h:336-336,TwoBodyJastrowRef.h:269-271,ParticleSet.h:313-313,ParticleSet.h:316-316,stl_algobase.h:238-238miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.070.040.021.101.001.7575.00100001225.9642.550.0037.5034.0037.5021.380.50
Loop 716execBsplineFunctor.h:291-297miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.050.030.022.111.006.7515.0065610.0018.750.0011.255.3311.251.670.75
Loop 322execBsplineFunctor.h:305-336,stl_vector.h:1147-1147miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.050.030.021.001.001.011.35186.7098.180.0069.0069.0069.0068.0351.00
Loop 1372execSPOSet.h:83-86,inner_product.hpp:82-83,OhmmsVector.h:178-178,OhmmsVector.h:248-249miniqmcreference::DiracDeterminantRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.050.030.022.381.001.803.5748.4430.890.004.461.884.462.471.25
Loop 702execTwoBodyJastrowRef.h:397-398miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.040.030.021.001.001.002.001100.00100.000.002.002.002.002.001.00
Loop 1398execinner_product.hpp:82-83miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.040.030.021.001.001.001.001100.00100.000.002.002.002.002.002.00
Loop 392execBsplineFunctor.h:231-231,BsplineFunctor.h:246-246,refwrap.h:347-347,TwoBodyJastrowRef.h:107-108,TwoBodyJastrowRef.h:125-127,OhmmsVector.h:223-223,OhmmsVector.h:249-249,stl_vector.h:993-993,optional:991-991miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.050.030.025.001.001.125.8310000120.0032.810.005.831.175.835.211.00
Loop 393execBsplineFunctor.h:232-232,BsplineFunctor.h:236-241,BsplineFunctor.h:246-246,BsplineFunctor.h:259-260,TwoBodyJastrowRef.h:127-129,TwoBodyJastrowRef.h:132-132,ParticleSet.h:313-313,ParticleSet.h:316-316miniqmcreference::TwoBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.050.020.011.281.001.238.7910000124.8423.240.0015.3812.0015.3812.501.75
Loop 186execNewTimer.h:242-242,NewTimer.h:249-249,refwrap.h:347-347,WaveFunction.cpp:185-188,OperatorTags.h:94-94,stl_vector.h:993-993,stl_vector.h:1128-1128qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)Innermost0.040.020.011.501.005.541.50125.0028.130.003.002.003.000.542.00
Loop 319execstl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.050.020.011.001.001.001.001100.00100.000.002.002.002.002.002.00
Loop 694execBsplineFunctor.h:305-336,stl_vector.h:1147-1147miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.050.020.011.001.001.011.35186.7098.180.0069.0069.0069.0068.0351.00
Loop 4212execParticleBConds3DSoa.h:284-286,ParticleBConds3DSoa.h:294-296,OMPTargetMath.hpp:38-38,SoaDistanceTableABOMPTarget.h:215-215,SoaDistanceTableABOMPTarget.h:218-218,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:228-228qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)InBetween0.040.020.011.001.003.041.58221.0526.600.003.173.173.171.042.00
Loop 281execOneBodyJastrowRef.h:134-135,OneBodyJastrowRef.h:140-141,BsplineFunctor.h:246-246,OhmmsVector.h:223-223,OhmmsVector.h:249-249,stl_vector.h:993-993,stl_vector.h:1131-1131miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.050.020.013.831.001.195.1110.0032.810.003.831.003.833.210.75
Loop 1143execMultiBsplineRef.hpp:63-66miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.040.020.011.251.001.821.25120.0040.000.001.251.001.250.691.00
Loop 1138execMultiBsplineEvalHelper.hpp:53-53,MultiBsplineEvalHelper.hpp:60-63,MultiBsplineRef.hpp:42-44,MultiBsplineRef.hpp:47-49,MultiBsplineRef.hpp:57-58,MultiBsplineRef.hpp:66-68,einspline_spo_ref.hpp:175-176,MultiBsplineData.hpp:54-57,stl_algobase.h:951-952,stl_vector.h:1263-1263miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.040.020.013.781.001.122.52118.0033.750.0017.634.6717.6315.757.00
Loop 1142execMultiBsplineRef.hpp:64-66miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween0.030.020.013.251.002.083.25121.4334.820.003.251.003.251.561.00
Loop 32execminiqmc.cpp:429-458,refwrap.h:347-347,TinyVector.h:62-62,stl_vector.h:1131-1131main._omp_fn.1Innermost0.040.020.013.901.005.987.79214.3524.670.007.792.007.791.301.00
Loop 708execTwoBodyJastrowRef.h:388-391miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.040.010.011.001.001.002.331100.00100.000.003.503.503.503.501.50
Loop 1140execNewTimer.h:249-249,einspline_spo_ref.hpp:175-175,einspline_spo_ref.hpp:183-183,einspline_spo_ref.hpp:189-189miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Outermost0.040.010.012.601.004.1613.00157.1437.500.004.331.674.331.040.33
Loop 1181execMultiBsplineEvalHelper.hpp:53-56,MultiBsplineEvalHelper.hpp:60-63,MultiBsplineEvalHelper.hpp:66-66,MultiBsplineRef.hpp:187-192,MultiBsplineRef.hpp:199-200,MultiBsplineRef.hpp:205-206,MultiBsplineRef.hpp:209-213,MultiBsplineRef.hpp:226-226,MultiBsplineRef.hpp:229-230,MultiBsplineRef.hpp:269-286,einspline_spo_ref.hpp:206-207,MultiBsplineData.hpp:68-79,VectorSoAContainer.h:265-265,stl_algobase.h:951-952,stl_vector.h:1263-1263miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween0.050.010.011.691.004.902.66110.5326.830.0057.8834.1757.8811.8121.75
Loop 1144execeinspline_spo_ref.hpp:183-187,stl_algobase.h:238-238,stl_algobase.h:413-413,stl_algobase.h:451-452,stl_vector.h:1263-1263,stl_algo.h:683-683,stl_algo.h:709-709miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)Innermost0.030.010.011.331.007.023.0030.0016.470.003.002.253.000.431.00
Loop 684execBsplineFunctor.h:283-283,BsplineFunctor.h:291-291,BsplineFunctor.h:294-294,BsplineFunctor.h:336-336miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)InBetween0.030.010.011.001.001.6930.50139.1354.350.0030.5030.5030.5018.001.00
Loop 197execNewTimer.h:242-242,refwrap.h:347-347,WaveFunction.cpp:272-274,stl_vector.h:992-993,stl_vector.h:1131-1131qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost0.040.010.011.391.192.504.05159.5739.890.0011.138.009.334.462.75
Loop 1184execMultiBsplineRef.hpp:227-229,MultiBsplineRef.hpp:234-239miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween0.030.010.012.751.004.001.8310.0025.000.002.751.002.750.691.50
Loop 3889execunique_ptr.h:193-193,RealSpacePositionsOMPTarget.h:163-163,NewTimer.h:249-249,ParticleBConds3DSoa.h:222-224,ParticleBConds3DSoa.h:234-234,VectorSoAContainer.h:271-273,OhmmsVector.h:229-229,OhmmsVector.h:248-248,stl_vector.h:1131-1131,SoaDistanceTableABOMPTarget.h:366-368qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Innermost0.030.010.016.671.006.6720.00111.1125.000.006.671.006.671.000.33
Loop 280execOneBodyJastrowRef.h:143-146,BsplineFunctor.h:231-232,BsplineFunctor.h:236-241,BsplineFunctor.h:246-246,BsplineFunctor.h:259-260,ParticleSet.h:313-313,ParticleSet.h:316-316,OhmmsVector.h:223-223,shared_ptr_base.h:1667-1667miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween0.030.010.011.361.001.269.3610000125.3624.390.0016.3812.0016.3813.001.75
Loop 188execNewTimer.h:242-242,NewTimer.h:249-249,refwrap.h:347-347,WaveFunction.cpp:198-201,stl_vector.h:993-993qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Innermost0.040.010.011.001.007.381.0010.0018.750.003.003.003.000.413.00
Loop 385execOneBodyJastrowRef.h:192-193miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.020.010.011.001.001.001.001100.00100.000.002.002.002.002.002.00
Loop 1185execMultiBsplineRef.hpp:226-226,MultiBsplineRef.hpp:234-236miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween0.030.010.013.001.004.003.0010.0025.000.003.001.003.000.751.00
Loop 1375execOhmmsMatrix.h:217-217,inner_product.hpp:155-156,DiracDeterminantRef.cpp:88-91,OhmmsVector.h:178-178,OhmmsVector.h:248-248,OperatorTags.h:61-63,OperatorTags.h:94-94,stl_algobase.h:413-413,stl_algobase.h:451-453,TinyVector.h:62-62,stl_algo.h:683-683,stl_algo.h:709-709miniqmcreference::DiracDeterminantRef >::evalGrad(qmcplusplus::ParticleSet&, int)Outermost0.030.010.012.131.441.463.39146.2737.130.0015.257.1710.5610.454.50
Loop 1723execunique_ptr.h:193-193,stl_vector.h:993-993,ParticleSet.cpp:242-243qmcplusplus::ParticleSet::update(bool)Single0.020.010.011.001.004.001.3310.0025.000.001.331.331.330.331.00
Loop 265execOneBodyJastrowRef.h:214-218,ParticleSet.h:316-316,OhmmsVector.h:223-223,stl_vector.h:1131-1131,shared_ptr_base.h:1667-1667miniqmcreference::OneBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet&, int, double const*) [clone .isra.0]Innermost0.020.010NANANANANANANA0.00NANANANANA
Loop 65execNonLocalPP.hpp:122-122,NonLocalPP.hpp:126-126,ParticleSet.h:277-277,stl_vector.h:1150-1150main._omp_fn.1InBetween0.020.010NANANANANANANA0.00NANANANANA
Loop 1186execeinspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:223-227,VectorSoAContainer.h:231-231,VectorSoAContainer.h:271-271,OhmmsVector.h:223-223,stl_algobase.h:238-238,TinyVector.h:145-145,stl_vector.h:1131-1131miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)InBetween0.030.010NANANANANANANA0.00NANANANANA
Loop 2613execstl_tree.h:269-269,stl_tree.h:283-283,stl_tree.h:298-299,stl_tree.h:631-631,stl_tree.h:733-733,stl_tree.h:748-748,stl_tree.h:786-786,stl_tree.h:1636-1636,stl_tree.h:1947-1947,stl_tree.h:2109-2111,stl_tree.h:2118-2120,stl_tree.h:2125-2125,stl_tree.h:2217-2217,stl_tree.h:2222-2222,stl_tree.h:2226-2230,stl_tree.h:2242-2246,stl_tree.h:2373-2373,stl_tree.h:2377-2378,stl_tree.h:2381-2383,stl_tree.h:2459-2459,NewTimer.h:119-121,NewTimer.h:124-124,stl_map.h:511-511,chrono.h:214-214,chrono.h:716-716,NewTimer.cpp:98-111,NewTimer.cpp:120-120,tuple:2887-2888,new_allocator.h:151-151,new_allocator.h:172-172qmcplusplus::TimerType::stop()Outermost0.090.010NANANANANANANA0.00NANANANANA
Loop 3884execVectorSoAContainer.h:271-271,stl_algobase.h:451-452,stl_vector.h:1131-1131,stl_algo.h:683-683,stl_algo.h:709-709,SoaDistanceTableABOMPTarget.h:376-376qmcplusplus::SoaDistanceTableABOMPTarget::update(int)Outermost0.020.010NANANANANANANA0.00NANANANANA
Loop 1182execNewTimer.h:249-249,einspline_spo_ref.hpp:206-206,einspline_spo_ref.hpp:219-219,einspline_spo_ref.hpp:230-230,stl_algobase.h:238-238miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&, qmcplusplus::Vector, std::allocator > >&, qmcplusplus::Vector >&)Outermost0.020.010NANANANANANANA0.00NANANANANA
Loop 1764execunique_ptr.h:193-193,stl_vector.h:993-993,ParticleSet.cpp:389-390qmcplusplus::ParticleSet::acceptMove(int)Single0.020.010NANANANANANANA0.00NANANANANA
Loop 1381execOhmmsMatrix.h:217-217,TinyVectorOps.h:129-131,inner_product.hpp:82-83,inner_product.hpp:155-156,DiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:178-178,OhmmsVector.h:248-248,OperatorTags.h:61-63,OperatorTags.h:94-94,TinyVector.h:62-62miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)InBetween0.020.010NANANANANANANA0.00NANANANANA
Loop 958execOneBodyJastrowRef.h:184-188,OneBodyJastrowRef.h:192-193,OneBodyJastrowRef.h:271-272,OneBodyJastrowRef.h:275-279,OhmmsVector.h:223-223,stl_vector.h:1263-1263miniqmcreference::OneBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Outermost0.030.010NANANANANANANA0.00NANANANANA
Loop 682execBsplineFunctor.h:276-276,BsplineFunctor.h:284-284,BsplineFunctor.h:291-291,TwoBodyJastrowRef.h:269-271,ParticleSet.h:313-316,stl_algobase.h:238-238miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Innermost0.0200NANANANANANANANANANANANANA
Loop 4208execunique_ptr.h:193-193,NewTimer.h:242-242,NewTimer.h:249-249,aligned_allocator.hpp:46-46,Mallocator.hpp:79-79,VectorSoAContainer.h:267-267,OhmmsVector.h:223-223,OhmmsVector.h:248-248,SoaDistanceTableABOMPTarget.h:68-73,SoaDistanceTableABOMPTarget.h:180-180,SoaDistanceTableABOMPTarget.h:187-189,SoaDistanceTableABOMPTarget.h:193-196,SoaDistanceTableABOMPTarget.h:199-199,SoaDistanceTableABOMPTarget.h:205-206,SoaDistanceTableABOMPTarget.h:209-209,SoaDistanceTableABOMPTarget.h:214-214,SoaDistanceTableABOMPTarget.h:225-225,SoaDistanceTableABOMPTarget.h:233-233qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)Outermost0.0200NANANANANANANANANANANANANA
Loop 698execTwoBodyJastrowRef.h:320-320,TwoBodyJastrowRef.h:334-334,TwoBodyJastrowRef.h:342-355,VectorSoAContainer.h:243-244,OhmmsVector.h:223-223miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)InBetween0.0200NANANANANANANANANANANANANA
Loop 192execNewTimer.h:242-242,NewTimer.h:249-249,refwrap.h:347-347,WaveFunction.cpp:225-228,stl_vector.h:993-993,stl_vector.h:1128-1128qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.0200NANANANANANANANANANANANANA
Loop 3288execSoaDistanceTableAAOMPTarget.h:437-437,SoaDistanceTableAAOMPTarget.h:440-442,SoaDistanceTableAAOMPTarget.h:445-445,NewTimer.h:249-249,VectorSoAContainer.h:231-231,VectorSoAContainer.h:244-244,VectorSoAContainer.h:263-263,VectorSoAContainer.h:271-271,OhmmsVector.h:223-223,stl_algobase.h:413-413,TinyVector.h:182-182,stl_vector.h:1131-1131qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Outermost0.0200NANANANANANANANANANANANANA
Loop 1360execDelayedUpdate.h:147-149,DelayedUpdate.h:160-160,DelayedUpdate.h:165-165,DelayedUpdate.h:176-176,DelayedUpdate.h:179-180,DelayedUpdate.h:183-187,DelayedUpdate.h:190-192,DelayedUpdate.h:196-196,DelayedUpdate.h:230-230,OhmmsMatrix.h:217-217,OhmmsMatrix.h:236-236,OpenMP.h:38-38,inner_product.hpp:53-54,DiracDeterminantRef.cpp:131-132,DiracDeterminantRef.cpp:137-139,OhmmsVector.h:223-223,OhmmsVector.h:248-248,stl_algobase.h:413-413,stl_vector.h:1131-1131,BLAS.hpp:249-249miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Outermost0.0200NANANANANANANANANANANANANA
Loop 1365execDelayedUpdate.h:98-98,DelayedUpdate.h:101-101,DelayedUpdate.h:106-107,DelayedUpdate.h:111-113,OhmmsMatrix.h:77-78,OhmmsMatrix.h:214-214,OhmmsMatrix.h:217-217,inner_product.hpp:82-83,inner_product.hpp:155-156,DiracDeterminantRef.cpp:111-111,DiracDeterminantRef.cpp:114-118,OhmmsVector.h:178-178,OhmmsVector.h:248-248,OperatorTags.h:61-63,OperatorTags.h:94-94,stl_algobase.h:413-413,stl_algobase.h:451-453,TinyVector.h:62-62,stl_algo.h:683-683,stl_algo.h:709-709,BLAS.hpp:187-187miniqmcreference::DiracDeterminantRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.0200NANANANANANANANANANANANANA
Loop 1733execunique_ptr.h:193-193,stl_vector.h:993-993,ParticleSet.cpp:343-344qmcplusplus::ParticleSet::makeMove(int, qmcplusplus::TinyVector const&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 187execWaveFunction.cpp:196-198,WaveFunction.cpp:204-204,stl_vector.h:993-993qmcplusplus::WaveFunction::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.0200NANANANANANANANANANANANANA
Loop 717execBsplineFunctor.h:305-336,stl_vector.h:1147-1147miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.0200NANANANANANANANANANANANANA
Loop 713execTwoBodyJastrowRef.h:375-376miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.0100NANANANANANANANANANANANANA
Loop 956execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANA
Loop 1364execDelayedUpdate.h:137-138miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0200NANANANANANANANANANANANANA
Loop 3455execSoaDistanceTableAAOMPTarget.h:283-287,unique_ptr.h:193-193,RealSpacePositionsOMPTarget.h:163-163,NewTimer.h:249-249,ParticleBConds3DSoa.h:222-224,ParticleBConds3DSoa.h:234-234,ParticleBConds3DSoa.h:237-237,Mallocator.hpp:78-78,VectorSoAContainer.h:154-156,VectorSoAContainer.h:174-176,VectorSoAContainer.h:271-273,OhmmsVector.h:229-229,OhmmsVector.h:248-248qmcplusplus::SoaDistanceTableAAOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Outermost0.0200NANANANANANANANANANANANANA
Loop 946execBsplineFunctor.h:291-297,BsplineFunctor.h:335-336,BsplineFunctor.h:339-339qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constOutermost0.0100NANANANANANANANANANANANANA
Loop 2619execstl_tree.h:786-786,stl_tree.h:1947-1949,NewTimer.h:119-119qmcplusplus::TimerType::stop()Innermost0.1600NANANANANANANANANANANANANA
Loop 715execstl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost0.0100NANANANANANANANANANANANANA
Loop 283execBsplineFunctor.h:246-260miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 3891execNewTimer.h:249-249,ParticleBConds3DSoa.h:223-224,ParticleBConds3DSoa.h:234-234,ParticleBConds3DSoa.h:237-237,VectorSoAContainer.h:271-273,SoaDistanceTableABOMPTarget.h:361-362,SoaDistanceTableABOMPTarget.h:365-365,SoaDistanceTableABOMPTarget.h:368-368qmcplusplus::SoaDistanceTableABOMPTarget::move(qmcplusplus::ParticleSet const&, qmcplusplus::TinyVector const&, int, bool)Outermost0.0200NANANANANANANANANANANANANA
Loop 951execstl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Single0.0100NANANANANANANANANANANANANA
Loop 185execWaveFunction.cpp:183-185,WaveFunction.cpp:191-191,stl_vector.h:993-993qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)Outermost0.0200NANANANANANANANANANANANANA
Loop 4213execSoaDistanceTableABOMPTarget.h:214-214,SoaDistanceTableABOMPTarget.h:222-222,SoaDistanceTableABOMPTarget.h:225-225qmcplusplus::SoaDistanceTableABOMPTarget::evaluate(qmcplusplus::ParticleSet&)InBetween0.0100NANANANANANANANANANANANANA
Loop 1363execDelayedUpdate.h:137-138miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Single0.0100NANANANANANANANANANANANANA
Loop 67execNonLocalPP.hpp:131-132,OperatorTags.h:43-43,OperatorTags.h:63-63,TinyVector.h:145-145,stl_vector.h:992-992main._omp_fn.1Innermost0.0100NANANANANANANANANANANANANA
Loop 3290execSoaDistanceTableAAOMPTarget.h:437-437,VectorSoAContainer.h:271-271,stl_algobase.h:452-452,stl_vector.h:1131-1131qmcplusplus::SoaDistanceTableAAOMPTarget::update(int)Single0.0100NANANANANANANANANANANANANA
Loop 947execBsplineFunctor.h:305-336,stl_vector.h:1147-1147qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constInnermost0.0100NANANANANANANANANANANANANA
Loop 3413execSoaDistanceTableAAOMPTarget.h:184-185,unique_ptr.h:193-193,RealSpacePositionsOMPTarget.h:163-163,ParticleBConds3DSoa.h:234-234,VectorSoAContainer.h:271-273,OhmmsVector.h:223-223,OhmmsVector.h:248-248,stl_vector.h:1131-1131qmcplusplus::SoaDistanceTableAAOMPTarget::evaluate(qmcplusplus::ParticleSet&)InBetween0.0100NANANANANANANANANANANANANA
Loop 2611execNewTimer.h:90-93,NewTimer.h:97-99,NewTimer.cpp:53-58,NewTimer.cpp:62-65,NewTimer.cpp:69-69,NewTimer.cpp:73-75,NewTimer.cpp:81-81,TimerManager.h:92-93,stl_vector.h:993-993qmcplusplus::TimerType::start()Outermost0.0300NANANANANANANANANANANANANA
Loop 2615execstl_tree.h:786-786,stl_tree.h:1947-1949,NewTimer.h:119-119qmcplusplus::TimerType::stop()Innermost0.0600NANANANANANANANANANANANANA
Loop 316execTwoBodyJastrowRef.h:150-150,TwoBodyJastrowRef.h:155-157,TinyVector.h:62-62miniqmcreference::TwoBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.0100NANANANANANANANANANANANANA
Loop 2567execRealSpacePositionsOMPTarget.h:69-69,RealSpacePositionsOMPTarget.h:84-84,VectorSoAContainer.h:243-244qmcplusplus::RealSpacePositionsOMPTarget::setOneParticlePos(qmcplusplus::TinyVector const&, unsigned long)Single0.0100NANANANANANANANANANANANANA
Loop 706execTwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-367,TwoBodyJastrowRef.h:375-377,TwoBodyJastrowRef.h:381-381,TwoBodyJastrowRef.h:386-388,stl_numeric.h:140-140,VectorSoAContainer.h:244-244,VectorSoAContainer.h:273-273,OhmmsVector.h:249-249,stl_algobase.h:952-952,TinyVector.h:62-62,stl_vector.h:1131-1131miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween0.0100NANANANANANANANANANANANANA
Loop 948execBsplineFunctor.h:291-297qmcplusplus::BsplineFunctor::evaluateVGL(int, int, int, double const*, double*, double*, double*, double*, int*) constInnermost0.0100NANANANANANANANANANANANANA
Loop 696execTwoBodyJastrowRef.h:341-342miniqmcreference::TwoBodyJastrowRef >::acceptMove(qmcplusplus::ParticleSet&, int)Outermost0.0100NANANANANANANANANANANANANA
Loop 1361execDelayedUpdate.h:186-187,OhmmsMatrix.h:236-236,OhmmsVector.h:223-223miniqmcreference::DiracDeterminantRef >::acceptMove(qmcplusplus::ParticleSet&, int)Innermost0.0100NANANANANANANANANANANANANA
Loop 1394execOhmmsMatrix.h:217-217,SPOSet.h:106-111,OhmmsVector.h:56-56,OhmmsVector.h:144-144,OhmmsVector.h:210-210,new_allocator.h:172-172miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 387execOneBodyJastrowRef.h:186-187miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 337execOneBodyJastrowRef.h:169-169,OperatorTags.h:94-94miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Single0.0100NANANANANANANANANANANANANA
Loop 2192execOhmmsVector.h:46-46,stl_uninitialized.h:642-642std::vector >, std::allocator > > >::_M_default_append(unsigned long)Single0.0100NANANANANANANANANANANANANA
Loop 704execBsplineFunctor.h:276-276,BsplineFunctor.h:283-284,BsplineFunctor.h:291-298,BsplineFunctor.h:336-336,TwoBodyJastrowRef.h:269-271,ParticleSet.h:313-313,ParticleSet.h:316-316,stl_algobase.h:238-238miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween0.0100NANANANANANANANANANANANANA
Loop 388execstl_numeric.h:140-141miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 1396execOhmmsMatrix.h:217-217,TinyVectorOps.h:129-131,inner_product.hpp:82-83,inner_product.hpp:155-156,DiracDeterminantRef.cpp:247-247,DiracDeterminantRef.cpp:252-252,OhmmsVector.h:248-248,OperatorTags.h:61-63,OperatorTags.h:94-94,TinyVector.h:62-62miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)InBetween000NANANANANANANANANANANANANA
Loop 2582execPosTransformer.h:43-45qmcplusplus::RealSpacePositions::setAllParticlePos(qmcplusplus::ParticleAttrib, std::allocator > > const&)Innermost0.0100NANANANANANANANANANANANANA
Loop 191execWaveFunction.cpp:223-225,WaveFunction.cpp:230-230,stl_vector.h:993-993qmcplusplus::WaveFunction::acceptMove(qmcplusplus::ParticleSet&, int)Outermost0.0100NANANANANANANANANANANANANA
Loop 198execNewTimer.h:249-249,WaveFunction.cpp:269-269,WaveFunction.cpp:273-276,new_allocator.h:172-172,stl_vector.h:368-369,stl_vector.h:388-388,stl_vector.h:993-993qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)InBetween000NANANANANANANANANANANANANA
Loop 2499execVectorSoAContainer.h:41-41,stl_uninitialized.h:642-642std::vector >, std::allocator > > >::resize(unsigned long)Innermost0.0100NANANANANANANANANANANANANA
Loop 1708execstl_algobase.h:939-940qmcplusplus::ParticleSet::create(std::vector > const&)Innermost000NANANANANANANANANANANANANA
Loop 1400execDiracMatrix.h:112-113miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 375execBsplineFunctor.h:291-297miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost0.0100NANANANANANANANANANANANANA
Loop 3531execVectorSoAContainer.h:41-41,stl_uninitialized.h:642-642qmcplusplus::SoaDistanceTableAAOMPTarget::SoaDistanceTableAAOMPTarget(qmcplusplus::ParticleSet&)Single000NANANANANANANANANANANANANA
Loop 1137execMultiBsplineEvalHelper.hpp:53-53,MultiBsplineEvalHelper.hpp:61-61,MultiBsplineRef.hpp:49-49,MultiBsplineRef.hpp:67-67,MultiBsplineData.hpp:54-57miniqmcreference::einspline_spo_ref::evaluate(qmcplusplus::ParticleSet const&, int, qmcplusplus::Vector >&)InBetween000NANANANANANANANANANANANANA
Loop 710execTwoBodyJastrowRef.h:377-377,TwoBodyJastrowRef.h:381-383,VectorSoAContainer.h:273-273miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween000NANANANANANANANANANANANANA
Loop 1440execstl_algobase.h:939-940miniqmcreference::DiracDeterminantRef >::resize(int, int)Innermost000NANANANANANANANANANANANANA
Loop 2021execVirtualParticleSet.cpp:119-120,OperatorTags.h:43-43qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector, std::allocator > > const&, bool, int)Single0.0100NANANANANANANANANANANANANA
Loop 3533execSoaDistanceTableAAOMPTarget.h:96-96,SoaDistanceTableAAOMPTarget.h:106-109,aligned_allocator.hpp:46-46,Mallocator.hpp:78-79,VectorSoAContainer.h:167-167,VectorSoAContainer.h:174-176,OhmmsVector.h:149-149,OhmmsVector.h:156-157,stl_vector.h:1131-1131,stl_vector.h:1263-1263qmcplusplus::SoaDistanceTableAAOMPTarget::SoaDistanceTableAAOMPTarget(qmcplusplus::ParticleSet&)Innermost0.0100NANANANANANANANANANANANANA
Loop 2181execstl_algobase.h:951-952qmcplusplus::Vector >::resize(unsigned long, double)Innermost0.0100NANANANANANANANANANANANANA
Loop 3883execNewTimer.h:249-249,stl_algobase.h:413-413,stl_algobase.h:453-453,SoaDistanceTableABOMPTarget.h:375-377qmcplusplus::SoaDistanceTableABOMPTarget::update(int)Innermost000NANANANANANANANANANANANANA
Loop 182execWaveFunction.cpp:170-172,WaveFunction.cpp:177-179,OhmmsVector.h:178-178,OhmmsVector.h:223-223,OhmmsVector.h:379-379,OperatorTags.h:183-183,TinyVector.h:164-164,stl_vector.h:993-993qmcplusplus::WaveFunction::evaluateLog(qmcplusplus::ParticleSet&)Outermost000NANANANANANANANANANANANANA
Loop 721execTwoBodyJastrowRef.h:268-269,TwoBodyJastrowRef.h:364-364,TwoBodyJastrowRef.h:367-367,TwoBodyJastrowRef.h:375-377,TwoBodyJastrowRef.h:381-381,TwoBodyJastrowRef.h:386-393,stl_numeric.h:140-140,VectorSoAContainer.h:244-244,VectorSoAContainer.h:273-273,OhmmsVector.h:249-249,TinyVector.h:62-62miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)InBetween0.0100NANANANANANANANANANANANANA
Loop 714execstl_numeric.h:140-141miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANA
Loop 336execOneBodyJastrowRef.h:171-172,OhmmsVector.h:221-221miniqmcreference::OneBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 1623execCrystalLattice.h:147-147,char_traits.h:391-391,ParticleIOUtility.h:71-90,TinyVectorTensorOps.h:150-152,ParticleSet.h:127-127,OhmmsVector.h:223-223,OperatorTags.h:43-43,OperatorTags.h:63-63,TinyVector.h:170-170,Tensor.h:213-213,ostream:673-673void qmcplusplus::expandSuperCell(qmcplusplus::ParticleSet&, qmcplusplus::Tensor const&)Innermost0.0100NANANANANANANANANANANANANA
Loop 693execTwoBodyJastrowRef.h:269-269,TwoBodyJastrowRef.h:279-279miniqmcreference::TwoBodyJastrowRef >::computeU3(qmcplusplus::ParticleSet const&, int, double const*, double*, double*, double*, bool)Outermost0.0100NANANANANANANANANANANANANA
Loop 709execTwoBodyJastrowRef.h:381-382miniqmcreference::TwoBodyJastrowRef >::recompute(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANA
Loop 376execBsplineFunctor.h:305-336,stl_vector.h:1147-1147miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)Innermost000NANANANANANANANANANANANANA
Loop 1395execDelayedUpdate.h:79-79,alloc_traits.h:273-273,alloc_traits.h:277-277,OhmmsMatrix.h:77-78,OhmmsMatrix.h:217-217,OpenMP.h:38-38,SPOSet.h:106-106,inner_product.hpp:82-82,inner_product.hpp:210-210,DiracDeterminantRef.cpp:53-55,DiracDeterminantRef.cpp:238-238,DiracDeterminantRef.cpp:247-249,DiracDeterminantRef.cpp:256-256,DiracDeterminantRef.cpp:263-264,Mallocator.hpp:50-53,Mallocator.hpp:61-61,Mallocator.hpp:68-68,Mallocator.hpp:76-79,OhmmsVector.h:223-223,OhmmsVector.h:248-249,stl_uninitialized.h:1101-1102,stl_algobase.h:262-262,stl_vector.h:993-993,stl_vector.h:1015-1018,stl_vector.h:1262-1263,stl_vector.h:1908-1908,stl_vector.h:1945-1945,stl_vector.h:1949-1949,vector.tcc:811-814,vector.tcc:817-817,vector.tcc:820-820,vector.tcc:851-851,vector.tcc:908-910,BLAS.hpp:790-790,BLAS.hpp:827-827,DiracMatrix.h:29-37,DiracMatrix.h:76-77,DiracMatrix.h:83-86,DiracMatrix.h:96-98,DiracMatrix.h:101-101,DiracMatrix.h:108-108,DiracMatrix.h:112-117,DiracMatrix.h:121-121miniqmcreference::DiracDeterminantRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)InBetween000NANANANANANANANANANANANANA
Loop 1384execDiracDeterminantRef.cpp:173-173,DiracDeterminantRef.cpp:181-181miniqmcreference::DiracDeterminantRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Outermost000NANANANANANANANANANANANANA
Loop 373execOneBodyJastrowRef.h:109-109,OneBodyJastrowRef.h:112-113,OneBodyJastrowRef.h:184-187,OneBodyJastrowRef.h:192-192,OneBodyJastrowRef.h:207-207,stl_numeric.h:140-140,OhmmsVector.h:223-223,OhmmsVector.h:249-249,stl_algobase.h:952-952,stl_algobase.h:1146-1146,stl_algobase.h:1151-1151,stl_vector.h:1131-1131,stl_vector.h:1150-1150,stl_vector.h:1263-1263,stl_iterator.h:1068-1068,stl_iterator.h:1139-1139miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)InBetween000NANANANANANANANANANANANANA
Loop 1701execstl_algobase.h:939-940qmcplusplus::ParticleSet::create(std::vector > const&)Innermost000NANANANANANANANANANANANANA
Loop 1598execrandom.tcc:458-466,random.tcc:3365-3368qmcplusplus::build_els(qmcplusplus::ParticleSet const&, StdRandom >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 372execOneBodyJastrowRef.h:214-216,BsplineFunctor.h:276-276,BsplineFunctor.h:281-284,BsplineFunctor.h:291-298,BsplineFunctor.h:336-336,ParticleSet.h:313-313,ParticleSet.h:316-316,OhmmsVector.h:223-223,shared_ptr_base.h:1667-1667miniqmcreference::OneBodyJastrowRef >::evaluateLog(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&)InBetween0.0100NANANANANANANANANANANANANA
Loop 284execOneBodyJastrowRef.h:134-136miniqmcreference::OneBodyJastrowRef >::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector >&)Outermost000NANANANANANANANANANANANANA
Loop 1597execrandom.h:2011-2011,random.tcc:404-404,random.tcc:420-425,random.tcc:453-453,random.tcc:458-458,random.tcc:3363-3364,random.tcc:3370-3371,StdRandom.h:102-103qmcplusplus::build_els(qmcplusplus::ParticleSet const&, StdRandom >&, bool)InBetween000NANANANANANANANANANANANANA
Loop 953execOneBodyJastrowRef.h:184-184,OneBodyJastrowRef.h:188-188,OneBodyJastrowRef.h:192-194miniqmcreference::OneBodyJastrowRef >::ratioGrad(qmcplusplus::ParticleSet&, int, qmcplusplus::TinyVector&)Outermost0.0100NANANANANANANANANANANANANA
Loop 740execTwoBodyJastrowRef.h:423-423,OperatorTags.h:94-94miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost000NANANANANANANANANANANANANA
Loop 739execTwoBodyJastrowRef.h:423-423,OperatorTags.h:94-94miniqmcreference::TwoBodyJastrowRef >::evaluateGL(qmcplusplus::ParticleSet&, qmcplusplus::ParticleAttrib, std::allocator > >&, qmcplusplus::ParticleAttrib >&, bool)Innermost0.0100NANANANANANANANANANANANANA
Loop 2731execTimerManager.cpp:79-79,TimerManager.cpp:89-89,new_allocator.h:191-191,stl_vector.h:1285-1290qmcplusplus::TimerManager >::push_timer(qmcplusplus::TimerType*)Single0.0100NANANANANANANANANANANANANA
Loop 183execNewTimer.h:242-242,NewTimer.h:249-249,refwrap.h:347-347,WaveFunction.cpp:172-175,stl_vector.h:993-993qmcplusplus::WaveFunction::evaluateLog(qmcplusplus::ParticleSet&)Innermost000NANANANANANANANANANANANANA
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