options

Loops Index

146 loops have been discarded from the report because their coverage is lower than the threshold set by object_coverage_threshold (0.01%). It represents about 0% of the application. To include them, change the value of object_coverage_threshold in the experiment directory configuration file, then rerun the command with the additionnal parameter --force-static-analysis

Colums Filter

Level Coverage run_0 (%) Max Time Over Threads run_0 (s) Time w.r.t. Wall Time run_0 (s) Nb Threads run_0 GFLOPS run_0 Vectorization Ratio (%) Vector Length Use (%) Speedup If No Scalar Integer Speedup If FP Vectorized Speedup If Fully Vectorized Speedup If Perfect Load Balancing run_0 Stride 0 Stride 1 Stride n Stride Unknown Stride Indirect Speedup If Data in L1 run_0
Loop idSource LocationSource FunctionLevelCoverage run_0 (%)Max Time Over Threads run_0 (s)Time w.r.t. Wall Time run_0 (s)Nb Threads run_0GFLOPS run_0Vectorization Ratio (%)Vector Length Use (%)Speedup If No Scalar IntegerSpeedup If FP VectorizedSpeedup If Fully VectorizedSpeedup If Perfect Load Balancing run_0Stride 0Stride 1Stride nStride UnknownStride IndirectSpeedup If Data in L1 run_0
3357exec - basis_fns.f90:109-130 [...]basis_fnsInnermost8.252.292.085217.307.1412.957115.151.1100100NA
3140exec - orbitals.f90:94-578 [...]orbitalsInnermost7.251.971.8352820.621005011.3321.0806000NA
4419exec - optjas.f90:44-120 [...]optjas_delocInBetween3.511.020.8952124.0890.241.51.041.472.991.15NANANANANANA
2424exec - nonloc.f90:795-796orbitals_quadInnermost3.370.950.8552658.80100501.371.4421.1202100NA
3224exec - orbitals.f90:807-1190 [...]orbitalseInnermost3.090.950.7852797.981005011.4521.2205000NA
2671exec - multideterminant.f90:100-159 [...]multideterminant_hpsiInBetween2.590.740.6652132.6889.3240.861.051.553.151.14NANANANANANA
7948exec - __powidf2Innermost2.260.70.575217.46012.51881.2300000NA
3358exec - basis_fns.f90:102-103basis_fnsInnermost1.490.480.385211.4516.6713.541114.611.2600010NA
7947exec - __powidf2Outermost1.30.430.335216.2706.2511161.300000NA
2616exec - multideterminante.f90:259-260multideterminante_gradInnermost1.270.440.3252134.7880401.111.182.611.3801001NA
3138exec - orbitals.f90:94-579 [...]orbitalsInBetween0.890.290.2252616.3625.0815.491.751.939.091.32112.755.250NA
4527exec - optorb.f90:71-73optorb_derivInnermost0.870.30.225239.0988.8943.061.111.152.451.3601003NA
2623exec - multideterminante.f90:220-249 [...]multideterminante_gradInBetween0.730.240.1852296.8952.9124.021.592.067.091.33NANANANANANA
4523exec - optorb.f90:39-87 [...]optorb_derivInBetween0.70.240.1852130.6743.1420.342.793.19.561.33NANANANANANA
2614exec - multideterminante.f90:220-261 [...]multideterminante_gradInBetween0.680.230.175256.4114.6513.4911.4210.131.351.5001.50NA
3359exec - basis_fns.f90:93-98basis_fnsInnermost0.640.250.165261.9421.2115.632.36111.011.561002.50NA
2687exec - multideterminant.f90:354-357compute_ymatInnermost0.550.20.145273.5710043.271.111.112.271.43011014NA
2345exec - deriv_nonloc.f90:324-449 [...]deriv_nonlocj_quad4InBetween0.430.180.115213.3615.5212.822.732.5111.791.64NANANANANANA
4418exec - optjas.f90:88-120 [...]optjas_delocInnermost0.420.170.1152118.1888.6442.91.071.22.481.5505005NA
2615exec - multideterminante.f90:259-260multideterminante_gradInnermost0.40.160.15222.80012.512.9181.601010NA
3222exec - orbitals.f90:807-1191 [...]orbitalseOutermost0.40.160.152551.7026.3715.631.662.119.151.61007.50NA
4320exec - jastrow4e.f90:55-296 [...]jastrow4eOutermost0.380.160.15260.3016.7514.692.432.610.751.6NANANANANANA
7853exec - __intel_avx_rep_memsetSingle0.330.120.08520.63100501121.501000NA
2443exec - nonloc.f90:1192-1195nonlocj_quad4Innermost0.320.120.08526.00011.982.881.8411.151.510020NA
4525exec - optorb.f90:82-84optorb_derivInnermost0.310.150.085231.8889.2943.31.081.122.331.8801002NA
2626exec - multideterminante.f90:243-244multideterminante_gradInnermost0.310.130.085268.2510046.151.171.172.441.6303202NA
3356exec - basis_fns.f90:71-131 [...]basis_fnsInBetween0.310.130.085219.88011.462.461.487.381.63NANANANANANA
2405exec - nonloc.f90:379-386distance_quadSingle0.30.120.085220.2523.0815.3811.521.500030NA
2605exec - multideterminante.f90:61-63multideterminanteInnermost0.30.120.0852279.63100501121.504400NA
2670exec - multideterminant.f90:107-113multideterminant_hpsiInnermost0.290.110.0752111.8698.0846.881.071.222.341.5704003NA
2686exec - multideterminant.f90:353-357compute_ymatInnermost0.290.130.075273.00012.51.251.5281.8601140NA
4526exec - optorb.f90:71-73optorb_derivInnermost0.280.10.0752106.86012.512.5881.4301030NA
7852exec - __intel_avx_rep_memcpySingle0.270.110.07520.00100501121.5702000NA
2725exec - multideterminant.f90:626-629compute_zmatInnermost0.260.10.0752115.5792.3144.231.071.142.321.4301003NA
3397exec - determinant.f90:276-279compute_bmatrices_kinInnermost0.240.110.0652170.671005011.4721.8304000NA
3350exec - basis_fns.f90:62-228 [...]basis_fnsOutermost0.240.10.06520.178.2111.996.0719.481.67NANANANANANA
2442exec - nonloc.f90:1092-1199 [...]nonlocj_quad4InBetween0.240.10.065219.6713.4312.593.282.177.71.67NANANANANANA
2349exec - deriv_nonloc.f90:398-403deriv_nonlocj_quad4Innermost0.230.10.06529.509.0913.031.811.8811.381.671.51040NA
4522exec - optorb.f90:39-94 [...]optorb_derivOutermost0.220.10.0652195.3315.3814.182.951.3410.731.67NANANANANANA
2604exec - multideterminante.f90:37-63 [...]multideterminanteInBetween0.220.10.0652314.0019.4714.931.8217.581.6710014.670NA
6115exec - metrop_mov1_slat.f90:145-785 [...]metrop6Outermost0.20.10.055235.2014.4513.342.752.175.52NANANANANANA
2719exec - multideterminant.f90:610-642 [...]compute_zmatInBetween0.20.090.0552170.4077.5639.121.461.373.721.8NANANANANANA
2572exec - multideterminante.f90:166-169multideterminanteInnermost0.190.10.055237.80012.511.788202041NA
2422exec - nonloc.f90:460-797 [...]orbitals_quadInBetween0.190.090.0552473.8028.8116.011.691.237.021.81006.250NA
4417exec - optjas.f90:44-120 [...]optjas_delocInBetween0.180.080.055272.2038.817.352.061.956.851.63009.670NA
4387exec - optjas.f90:128-131optjas_delocInnermost0.180.070.04520.0010042.51.0612.731.7502001NA
2669exec - multideterminant.f90:100-159 [...]multideterminant_hpsiInBetween0.180.070.0452309.7540.7219.772.382.368.491.7530012.330.67NA
2682exec - multideterminant.f90:376-380compute_ymatSingle0.180.090.055224.40012.51.622.1381.8110110NA
2624exec - multideterminante.f90:247-248multideterminante_gradInnermost0.170.090.0452277.00100501122.2502100NA
2625exec - multideterminante.f90:243-244multideterminante_gradInnermost0.160.070.0452323.75012.511.181.7509001NA
3139exec - orbitals.f90:94-578 [...]orbitalsInnermost0.160.070.0452401.75012.511.3381.7506000NA
2594exec - multideterminante.f90:61-63multideterminanteInnermost0.160.070.0452309.00012.51281.7508000NA
2591exec - multideterminante.f90:72-77multideterminanteInnermost0.150.080.045214.0094.7441.891.071.11.48202015NA
4357exec - detsav.f90:53-54detsavInnermost0.140.060.04520.00012.51181.500060NA
2495exec - deriv_jastrow4.f90:76-488 [...]deriv_jastrow4Outermost0.140.070.045254.507.5912.872.891.439.161.75NANANANANANA
2680exec - multideterminant.f90:406-420compute_ymatSingle0.130.060.035261.67012.51.651.978215050NA
7174exec - for_check_mult_overflow64Single0.120.070.03520.00010.721111.892.3310010NA
2602exec - multideterminante.f90:37-63 [...]multideterminanteInBetween0.120.060.0352448.00012.23.02110.0321007.670NA
2601exec - multideterminante.f90:61-63multideterminanteInnermost0.120.070.0352125.00012.51182.3305000NA
3143exec - orbitals.f90:562-579 [...]orbitalsInnermost0.120.050.03520.0006.2511161.6700010NA
2421exec - nonloc.f90:795-796orbitals_quadInnermost0.120.060.0352237.001005011.542202000NA
3137exec - orbitals.f90:580-580orbitalsInnermost0.110.050.03523.678042.51.0312.951.6701001NA
4054exec - distances.f90:72-81distancesInnermost0.110.050.035221.6723.0815.3811.521.6700030NA
2375exec - nonloc.f90:258-259nonlocInnermost0.10.060.0252167.001005011.412302000NA
382exec - m_ewald.f90:223-223allocate_periodicInnermost0.10.040.02520.0006.251116201000NA
2724exec - multideterminant.f90:610-630 [...]compute_zmatInBetween0.10.050.0252226.5039.7117.462.691.847.332.52.331.3304.670NA
4396exec - optjas.f90:105-109optjas_delocInnermost0.10.050.035213.3397.3242.751.071.142.532.522017NA
2371exec - nonloc.f90:273-275nonlocInnermost0.10.050.0352365.33100501.091.0921.6702200NA
381exec - m_ewald.f90:223-223allocate_periodicInnermost0.10.040.02520.0006.251116201000NA
2508exec - deriv_jastrow4.f90:194-258deriv_jastrow4Innermost0.090.060.0252164.003.3112.51.291.443.663NANANANANANA
2589exec - multideterminante.f90:113-134multideterminanteInnermost0.090.040.025166.0099.2643.81.081.232.68201318NA
4314exec - jastrow4e.f90:55-356 [...]jastrow4eOutermost0.090.050.025172.0018.4215.52.52.267.292.5NANANANANANA
3471exec - deriv_nonlpsi.f90:243-257deriv_psibnlSingle0.090.050.025258.0011.7613.791.31.4110.342.5NANANANANANA
2351exec - deriv_nonloc.f90:390-391deriv_nonlocj_quad4Innermost0.090.060.025239.5085.7142.861.11.172.56301001NA
4050exec - distances.f90:96-105distancesInnermost0.090.050.025220.0023.0815.3811.522.502010NA
2369exec - nonloc.f90:273-275nonlocInnermost0.090.050.0252356.001005011.522.502000NA
2491exec - deriv_jastrow4.f90:76-609 [...]deriv_jastrow4InBetween0.090.060.025283.502.7812.442.042.478.633NANANANANANA
4543exec - optorb.f90:171-174optorb_sumInnermost0.080.050.025288.001005011.1722.506000NA
2316exec - gammai.f90:74-78gammaiSingle0.080.040.025240.00012.5188200000NA
2567exec - multideterminante.f90:37-184 [...]multideterminanteOutermost0.080.040.025119.5010.4514.354.97112.722NANANANANANA
3223exec - orbitals.f90:807-1190 [...]orbitalseInnermost0.080.050.0252775.00012.511.682.505000NA
2603exec - multideterminante.f90:61-63multideterminanteInnermost0.080.040.0252161.0010050112205000NA
4053exec - distances.f90:118-128distancesSingle0.080.050.025114.0023.0815.3811.522.502010NA
4052exec - distances.f90:133-146distancesSingle0.080.050.025221.0017.6514.711.382.062.752.502030NA
2622exec - multideterminante.f90:243-244multideterminante_gradInnermost0.080.040.025299.0010041.671.081.082.36202002NA
2618exec - multideterminante.f90:220-249 [...]multideterminante_gradInBetween0.080.050.0252150.0034.7817.122.592.8710.732.5NANANANANANA
4416exec - optjas.f90:88-90optjas_delocInnermost0.080.050.0252641.50012.51182.505020NA
4414exec - optjas.f90:88-90optjas_delocInnermost0.080.040.025296.0090.9144.321.061.112.27202002NA
4388exec - optjas.f90:44-123 [...]optjas_delocInBetween0.070.040.025120.0060.7834.931.4812.712NANANANANANA
3473exec - deriv_nonlpsi.f90:237-239deriv_psibnlSingle0.070.040.025136.00012.511.628211010NA
4269exec - jastrow4.f90:55-273 [...]jastrow_factor4InBetween0.070.040.0252117.5010.1413.0122.5711.572NANANANANANA
4390exec - optjas.f90:119-121optjas_delocInnermost0.070.050.025220.50012.513.7682.501020NA
4082exec - multiply_slmi_mderiv.f90:33-34multiply_slmi_mderiv_simpleInnermost0.070.040.025156.50012.511.548201080NA
4629exec - optorb.f90:991-995optorb_defineInnermost0.070.030.02520.0006.2511161.501000NA
2600exec - multideterminante.f90:37-64 [...]multideterminanteInBetween0.070.050.0252286.00012.3411112.5NANANANANANA
1228exec - optwf_sr.f90:502-507sr_hsInnermost0.060.020.0252125.50012.51.141.338104000NA
2423exec - nonloc.f90:795-796orbitals_quadInnermost0.060.040.0252550.50012.51.051.118200009NA
4083exec - multiply_slmi_mderiv.f90:33-34multiply_slmi_mderiv_simpleInnermost0.060.030.0252181.50012.51181.501010NA
4265exec - jastrow4.f90:55-336 [...]jastrow_factor4InBetween0.060.060.015195.005.9512.652.62.1676NANANANANANA
2723exec - multideterminant.f90:626-629compute_zmatInnermost0.060.030.024821.50012.512.5881.501030NA
4652exec - get_norbterm.f90:182-186get_norbtermInnermost0.060.030.02520.0006.2511161.501000NA
3400exec - determinant.f90:263-265compute_bmatrices_kinInnermost0.060.030.0152532.001005011.52305000NA
3587exec - nonlpsi.f90:196-198psibnlSingle0.060.040.015031.00012.514.718201000NA
4524exec - optorb.f90:82-84optorb_derivInnermost0.060.030.0151182.00012.5128301030NA
2612exec - multideterminante.f90:52-54multideterminanteInnermost0.060.040.02500.0084.6242.311.0513202001NA
2493exec - deriv_jastrow4.f90:552-607deriv_jastrow4Innermost0.060.040.025267.502.6712.631.061.972.7622303.750.25NA
4415exec - optjas.f90:44-120 [...]optjas_delocInBetween0.060.040.0251117.501.312.55.91182NANANANANANA
3252exec - readps_gauss.f90:23-49getvps_gaussOutermost0.050.040.0151157.0021.1114.193.341.9611.614407.540NA
3396exec - determinant.f90:257-280 [...]compute_bmatrices_kinInBetween0.050.040.0150236.0018.219.162.821.328.0840.75004.250NA
2363exec - nonloc.f90:77-320 [...]nonlocInBetween0.050.030.015082.0045.7628.542.452.287.623NANANANANANA
2659exec - multideterminant.f90:157-163multideterminant_hpsiInnermost0.050.030.014812.0094.8742.951.071.12313005NA
2569exec - multideterminante.f90:180-181multideterminanteInnermost0.050.030.01482.008042.51.0312.95301001NA
2317exec - gammai.f90:74-78gammaiSingle0.050.030.015021.00012.5188300000NA
4080exec - multiply_slmi_mderiv.f90:18-34 [...]multiply_slmi_mderiv_simpleInBetween0.050.030.0151128.00012.54.1118310.50.55.51NA
2668exec - multideterminant.f90:107-113multideterminant_hpsiInnermost0.050.030.0152475.00012.511.118304030NA
2608exec - multideterminante.f90:63-64multideterminanteInnermost0.050.030.01510.0010050112301000NA
2621exec - multideterminante.f90:243-244multideterminante_gradInnermost0.040.030.015082.00012.512.918302001NA
2383exec - nonloc.f90:77-186 [...]nonlocOutermost0.040.030.01460.0027.2120.53.772.439.033NANANANANANA
3463exec - deriv_nonlpsi.f90:157-171deriv_psianlSingle0.040.030.0152172.0012.513.871.381.5110.463NANANANANANA
3258exec - determinante_psit.f90:29-30determinante_psitSingle0.040.030.0151328.001005011.52303000NA
3256exec - determinante_psit.f90:25-26determinante_psitSingle0.040.030.0150288.001005011.52303000NA
2607exec - multideterminante.f90:37-65 [...]multideterminanteInBetween0.040.030.01450.00010.971113.03300010NA
4321exec - jastrow4e.f90:131-134jastrow4eInnermost0.040.020.014846.00011.64129.33211010NA
4351exec - detsav.f90:70-71detsavInnermost0.040.020.01420.00012.5118208000NA
4391exec - optjas.f90:44-122 [...]optjas_delocInBetween0.040.030.01444.0018.2215.351.161.678.79330.6703.670NA
4078exec - multiply_slmi_mderiv.f90:18-35 [...]multiply_slmi_mderiv_simpleInBetween0.040.020.0151102.00012.33118.152NANANANANANA
2667exec - multideterminant.f90:100-159 [...]multideterminant_hpsiInBetween0.040.030.014517.0034.8525.382.4214.993NANANANANANA
4529exec - optorb.f90:124-126optorb_computeInnermost0.040.040.015096.0010050112403000NA
4319exec - jastrow4e.f90:55-333 [...]jastrow4eInnermost0.030.020.014622.00011.541.331.218.89220002NA
4079exec - multiply_slmi_mderiv.f90:18-35 [...]multiply_slmi_mderiv_simpleInBetween0.030.020.014883.00012.51182NANANANANANA
2598exec - multideterminante.f90:37-63 [...]multideterminanteInBetween0.030.020.014564.00012.53.518210030NA
4076exec - multiply_slmi_mderiv.f90:18-34 [...]multiply_slmi_mderiv_simpleInBetween0.030.030.0149189.0043.0617.881.271.185.4131005.670NA
4065exec - distances.f90:51-58distancesSingle0.030.020.01370.0033.3316.671.9217.38212210NA
4363exec - detsav.f90:96-100detsavInnermost0.030.020.01340.0087.545.311.0312.91201001NA
4073exec - multiply_slmi_mderiv.f90:25-26multiply_slmi_mderiv_simpleInnermost0.030.020.0150129.00012.512.588202000NA
4383exec - optjas.f90:154-157optjas_delocInnermost0.030.040.0151348.001005011.52405000NA
3447exec - bxmatrices.f90:40-41bxmatrixInnermost0.030.020.01440.0010041.671.0912.67202002NA
4070exec - multiply_slmi_mderiv.f90:25-26multiply_slmi_mderiv_simpleInnermost0.030.030.0151383.00012.51.471.568303100NA
2343exec - deriv_nonloc.f90:432-434deriv_nonlocj_quad4Innermost0.030.020.01390.0085.7142.861.11.172.56201001NA
4626exec - optorb.f90:880-1005 [...]optorb_defineInBetween0.030.020.01430.00010.711113.42NANANANANANA
2684exec - multideterminant.f90:344-357 [...]compute_ymatOutermost0.030.020.014630.00012.041111.082NANANANANANA
2630exec - multideterminant.f90:272-278multideterminant_hpsiInnermost0.030.030.014528.00012.51.041.598300033NA
2606exec - multideterminante.f90:63-64multideterminanteInnermost0.030.030.01410.0006.251116301000NA
3404exec - determinante.f90:38-59 [...]determinanteInBetween0.030.030.014797.0045.7124.293.082.597.893NANANANANANA
3129exec - orbitals.f90:94-583 [...]orbitalsOutermost0.030.030.01396.003.212.351112.453NANANANANANA
4294exec - hpsi.f90:198-200hpsiInnermost0.030.030.014863.0083.3341.671.11.192.6302001NA
4413exec - optjas.f90:44-120 [...]optjas_delocInBetween0.030.030.0144116.0037.7618.462.292.68.9831.67005.670NA
3465exec - deriv_nonlpsi.f90:153-155deriv_psianlSingle0.030.020.01404.00012.511.628211010NA
4074exec - multiply_slmi_mderiv.f90:18-27 [...]multiply_slmi_mderiv_simpleInBetween0.030.030.0151100.003515.942.171.7910.26310021NA
4081exec - multiply_slmi_mderiv.f90:33-34multiply_slmi_mderiv_simpleInnermost0.030.030.014961.00012.512.918301010NA
2631exec - multideterminant.f90:272-278multideterminant_hpsiInnermost0.030.030.01380.0010042.51.0612.73302001NA
2577exec - multideterminante.f90:164-164multideterminanteInnermost0.030.020.01453.0010050112201000NA
2711exec - multideterminant.f90:479-485compute_dymatSingle0.030.030.014414.00012.522.388311140NA
4084exec - multiply_slmi_mderiv.f90:18-34 [...]multiply_slmi_mderiv_simpleInBetween0.030.020.0151137.00012.21.59110.2210091NA
4648exec - get_norbterm.f90:59-194 [...]get_norbtermInBetween0.030.020.01460.00010.231114.272NANANANANANA
3450exec - bxmatrices.f90:40-41bxmatrixInnermost0.030.020.01420.0010041.671.0912.67202002NA
2599exec - multideterminante.f90:61-63multideterminanteInnermost0.020.020.013826.001005011.412202000NA
2295exec - jassav.f90:33-39jassavInnermost0.020.030.01380.00012.5118300040NA
5344exec - optwf_sr_more.f90:180-182atimes_nInnermost0.020.020.01360.0020151.315.17.79212030NA
4628exec - optorb.f90:999-1000optorb_defineInnermost0.020.010330.0006.251116101000NA
2620exec - multideterminante.f90:247-248multideterminante_gradInnermost0.020.020.014340.001005011.252202000NA
3407exec - determinante.f90:52-53determinanteInnermost0.020.020360.0010042.861.081.172.55202002NA
3361exec - basis_fns.f90:71-71basis_fnsInnermost0.020.020300.0010050112201000NA
3427exec - determinante.f90:319-322determinante_ref_gradSingle0.020.010320.0010042.191.041.042.15102006NA
2595exec - multideterminante.f90:37-64 [...]multideterminanteInBetween0.020.020.014332.00012.24118.192NANANANANANA
2441exec - nonloc.f90:1204-1207nonlocj_quad4Innermost0.020.020390.00011.882.51.611.43210020NA
2368exec - nonloc.f90:77-276 [...]nonlocInBetween0.020.020480.0029.0623.042.511.377.6900.75002.750NA
4077exec - multiply_slmi_mderiv.f90:25-26multiply_slmi_mderiv_simpleInnermost0.020.020.01354.00100501.371.442202100NA
3369exec - determinant.f90:67-78determinantInnermost0.020.010.01390.00011.511115.39130040NA
4355exec - detsav.f90:46-55detsavInBetween0.020.020.01330.0014.2916.963.9517.472NANANANANANA
385exec - m_ewald.f90:213-223 [...]allocate_periodicOutermost0.020.010.01370.00011.361112.141NANANANANANA
4410exec - optjas.f90:44-120 [...]optjas_delocInBetween0.020.020310.0016.5617.714.116.892NANANANANANA
4348exec - detsav.f90:46-101 [...]detsavInBetween0.020.020.01320.005.4112.83.66127.432NANANANANANA
2292exec - jassav.f90:16-57 [...]jassavInBetween0.020.010300.001.2811.384.3113.931NANANANANANA
4267exec - jastrow4.f90:55-318 [...]jastrow_factor4Innermost0.020.020.014862.00011.741.221.148.62220002NA
2370exec - nonloc.f90:77-276 [...]nonlocInBetween0.020.020.0143152.0058.4934.381.572.075.142NANANANANANA
3370exec - determinant.f90:88-93determinantInnermost0.020.020.013711.00012.52.7218230050NA
2339exec - deriv_nonloc.f90:282-455 [...]deriv_nonlocj_quad4Outermost0.020.010.013812.0017.5312.823.932.3712.371NANANANANANA
2657exec - multideterminant.f90:188-236 [...]multideterminant_hpsiInnermost0.020.020.01344.0099.4844.621.081.222.62222213NA
2619exec - multideterminante.f90:247-248multideterminante_gradInnermost0.020.010.014156.00012.511.258102000NA
2391exec - nonloc.f90:151-168nonlocInnermost0.020.010320.00411.753.32.4412.651101100NA
4071exec - multiply_slmi_mderiv.f90:18-36multiply_slmi_mderiv_simpleOutermost0.020.020430.00011.511102NANANANANANA
2596exec - multideterminante.f90:61-63multideterminanteInnermost0.020.010.0141126.00012.511.58102000NA
2617exec - multideterminante.f90:220-251 [...]multideterminante_gradOutermost0.020.020350.007.4115.282.3117.262NANANANANANA
4292exec - hpsi.f90:88-201 [...]hpsiInBetween0.020.020320.0017.4214.391.221.549.5921.500.752.50NA
2346exec - deriv_nonloc.f90:406-449 [...]deriv_nonlocj_quad4InBetween0.020.030.01350.00010.771113.4231.250.51.51.250NA
2720exec - multideterminant.f90:638-641compute_zmatInnermost0.020.020.0148288.00100501.251.542204200NA
6123exec - metrop_mov1_slat.f90:349-355metrop6Innermost0.020.020.014124.0040.2517.21.192.37.1321.50020NA
2344exec - deriv_nonloc.f90:422-427deriv_nonlocj_quad4Innermost0.020.010.014524.0016.6713.542.73.1812.39120030NA
2588exec - multideterminante.f90:113-134multideterminanteInnermost0.020.010370.0011.1113.891.521.94.75113032NA
3363exec - determinant_psit.f90:20-21determinant_psitSingle0.010.010190.001005011.52003000NA
2382exec - nonloc.f90:77-186 [...]nonlocInBetween0.010.010230.00011.791113.261NANANANANANA
2299exec - jassav.f90:19-22jassavInnermost0.010.010180.00012.5118110080NA
3253exec - readps_gauss.f90:40-48getvps_gaussInnermost0.010.010230.0022.2214.243.672.2411.52031110NA
2496exec - deriv_jastrow4.f90:135-136deriv_jastrow4Innermost0.010.010160.0006.251116000080NA
2362exec - nonloc.f90:77-322 [...]nonlocOutermost0.010.010200.0066.6734.721.711.323.141NANANANANANA
391exec - m_ewald.f90:222-222allocate_periodicInnermost0.010.010270.0006.251116001000NA
3406exec - determinante.f90:56-57determinanteInnermost0.010.010280.001005011.52103000NA
3401exec - determinante.f90:38-64determinanteOutermost0.010.010220.0023.2615.994.263.2411.841NANANANANANA
3405exec - determinante.f90:52-53determinanteInnermost0.010.010300.00012.513.28002010NA
2359exec - deriv_nonloc.f90:267-269deriv_nonlocj_quad4Innermost0.010.020130.00012.5118210000NA
2717exec - multideterminant.f90:610-642 [...]compute_zmatInBetween0.010.010280.0043.5628.632.111.375.6401006.330NA
4424exec - optjas.f90:53-56optjas_delocInnermost0.010.020240.00012.51.131.138200040NA
390exec - m_ewald.f90:222-222allocate_periodicInnermost0.010.010250.0006.251116001000NA
4293exec - hpsi.f90:198-200hpsiInnermost0.010.010290.00012.512.678002010NA
7424exec - for_indexOutermost0.010.010240.0006.2511160NANANANANANA
6113exec - metrop_mov1_slat.f90:254-258metrop6Innermost0.010.010370.0015.3814.421.251.363.33050010NA
4072exec - multiply_slmi_mderiv.f90:33-35multiply_slmi_mderiv_simpleInnermost0.010.010270.0006.251116000030NA
2710exec - multideterminant.f90:497-532compute_dymatSingle0.010.010400.00012.51.482.58015302NA
7328exec - for_cpstrSingle0.010.010170.0009.381113.71101000NA
3360exec - basis_fns.f90:71-71basis_fnsInnermost0.010.010270.0006.251116101000NA
3399exec - determinant.f90:257-266compute_bmatrices_kinInBetween0.010.010310.0034.9825.623.331.415.93010070NA
4280exec - jastrow4.f90:128-138 [...]jastrow_factor4Innermost0.010.010250.00011.6812.299.23010020NA
2628exec - multideterminant.f90:108-286 [...]multideterminant_hpsiInBetween0.010.020290.0015.0716.73.252.211.312NANANANANANA
3395exec - determinant.f90:257-281 [...]compute_bmatrices_kinInBetween0.010.010140.00012.121110.451NANANANANANA
2350exec - deriv_nonloc.f90:390-391deriv_nonlocj_quad4Innermost0.010.010230.00012.51.21.58101010NA
2374exec - nonloc.f90:77-260 [...]nonlocInBetween0.010.010290.0032.3524.633.292.946.701007.670NA
4075exec - multiply_slmi_mderiv.f90:25-26multiply_slmi_mderiv_simpleInnermost0.010.020330.001005011.542002000NA
4687exec - optci.f90:56-58optci_delocInnermost0.010.010240.001005011.422006000NA
2492exec - deriv_jastrow4.f90:526-530deriv_jastrow4Innermost0.010.020290.00011.6812.299.23210020NA
2356exec - deriv_nonloc.f90:286-288deriv_nonlocj_quad4Innermost0.010.020250.0012.514.06117.5210000NA
4366exec - detsav.f90:86-89detsavInnermost0.010.010150.00012.5118101040NA
4376exec - optjas.f90:44-176 [...]optjas_delocOutermost0.010.010160.006.5214.047111.451NANANANANANA
3146exec - orbitals.f90:94-559 [...]orbitalsInBetween0.010.010130.001.9212.5118.6511000.750NA
3090exec - matinv.f90:69-82matinvOutermost0.010.010140.002014.381.532.1712.91NANANANANANA
408exec - m_ewald.f90:342-342allocate_tempor_testInnermost0.010.010290.0006.251116001000NA
2407exec - nonloc.f90:460-846 [...]orbitals_quadOutermost0.010.010330.004.8813.416.75110.990NANANANANANA
2444exec - nonloc.f90:1117-1119nonlocj_quad4Innermost0.010.010170.00012.5118110000NA
2315exec - gammai.f90:94-106gammaiSingle0.010.010440.00011.9815.459.23000000NA
2367exec - nonloc.f90:77-277 [...]nonlocInBetween0.010.020280.0014.2917.635.691.989.132NANANANANANA
2683exec - multideterminant.f90:352-357compute_ymatInnermost0.010.010130.00012.51.21.768101150NA
4444exec - optjas.f90:234-239optjas_sumInnermost0.010.010180.00012.51.361.368012.5004NA
4056exec - distances.f90:72-81distancesInnermost0.010.020350.0019.6714.9611.52210080NA
407exec - m_ewald.f90:342-342allocate_tempor_testInnermost0.010.010170.0006.251116001000NA
3583exec - nonlpsi.f90:143-145psianlSingle0.010.020260.00012.514.718201000NA
3132exec - orbitals.f90:94-581 [...]orbitalsInBetween0.010.010220.00511.881112.271NANANANANANA
4385exec - optjas.f90:44-137 [...]optjas_delocInBetween0.010.010270.0018.3918.684.0219.651NANANANANANA
2876exec - jastrowe.f90:45-48jastroweInnermost0.010.010150.00012.5118001040NA
2573exec - multideterminante.f90:169-169multideterminanteInnermost0.010.010230.00NANA1NANA100000NA
4686exec - optci.f90:65-68optci_delocInnermost0.010.010200.0010050112105000NA
4661exec - get_norbterm.f90:125-126get_norbtermInnermost0.0100150.0010036.76112.76081000NA
2510exec - deriv_jastrow4.f90:172-176deriv_jastrow4Innermost0.010.010340.00011.6812.299.23010020NA
1229exec - optwf_sr.f90:497-500sr_hsInnermost0.010.010390.00012.51.141.338004000NA
4412exec - optjas.f90:88-90optjas_delocInnermost0.010.020210.00012.5128202020NA
4068exec - distances.f90:275-290 [...]distancese_restoreSingle0.010.020270.0011.1113.892.0517.6420.50.5020NA
3448exec - bxmatrices.f90:40-41bxmatrixInnermost0.010.010140.00012.5118102001NA
4067exec - distances.f90:30-34distancesSingle0.010.010270.0033.3316.67116101060NA
4650exec - get_norbterm.f90:190-191get_norbtermInnermost0.010.010260.0006.251116101000NA
3409exec - determinante.f90:42-43determinanteInnermost0.010.010170.0010042.861.081.172.55102002NA
4660exec - get_norbterm.f90:59-127 [...]get_norbtermInBetween0.010.010160.0096.235.881.0314.040NANANANANANA
2439exec - nonloc.f90:1092-1226 [...]nonlocj_quad4Outermost0.010.010200.0011.1111.814.351.4712.390NANANANANANA
2627exec - multideterminant.f90:58-305 [...]multideterminant_hpsiOutermost0.010.010160.0030.3820.418.62113.551NANANANANANA
2314exec - gammai.f90:94-106gammaiSingle0.010.010300.00011.981.013.033.03000000NA
2429exec - nonloc.f90:881-903 [...]nonlocd_quadOutermost0.010.010280.0044.4419.972.133.05100NANANANANANA
2392exec - nonloc.f90:140-141nonlocInnermost0.010.010160.0026.6714.581.42110.4610.50010NA
2593exec - multideterminante.f90:37-65 [...]multideterminanteInBetween0.010.030240.00012.371183NANANANANANA
2419exec - nonloc.f90:460-797 [...]orbitals_quadInBetween0.010.010230.0020.8314.061.941.6410.0201001.50.75NA
3446exec - bxmatrices.f90:28-42 [...]bxmatrixOutermost0.010.010140.007.8715.221.9217.8811.670040NA
4384exec - optjas.f90:44-147 [...]optjas_delocInBetween0.010.020280.0019.4718.642.3816.542NANANANANANA
2300exec - jassav.f90:53-56jassavInnermost0.010.010140.00012.5118110080NA
2613exec - multideterminante.f90:220-263 [...]multideterminante_gradOutermost0.010.020230.0022.2213.892.83.513.582NANANANANANA
2592exec - multideterminante.f90:37-65 [...]multideterminanteInBetween0.010.010200.00012.171181NANANANANANA
2875exec - jastrowe.f90:42-51jastroweOutermost0.010.010220.00011.465.65114.861NANANANANANA
×