Name | Module | Coverage (%) | min (Coverage) (%) | avg (Coverage) (%) | med (Coverage) (%) | max (Coverage) (%) | Max Time Over Threads (s) | min (Max Time Over Threads) (s) | avg (Max Time Over Threads) (s) | med (Max Time Over Threads) (s) | max (Max Time Over Threads) (s) | Time w.r.t. Wall Time (s) | min (Time w.r.t. Wall Time) (s) | avg (Time w.r.t. Wall Time) (s) | med (Time w.r.t. Wall Time) (s) | max (Time w.r.t. Wall Time) (s) | Run Count | Categories |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
►nbnxm_kernel_ElecEw_VdwLJCombLB_F_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs_mpi.so.7 | 28.404012680054 | 27.720388412476 | 28.32 | 28.358837127686 | 28.582166671753 | 16.040000915527 | 15.640005111694 | 15.93 | 15.845026016235 | 16.514999389648 | 15.519995689392 | 15.221445083618 | 15.48 | 15.49165725708 | 15.634615898132 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1059 | libgromacs_mpi.so.7 | 0.59681987762451 | 0.59000015258789 | 0.32610327005386 | ||||||||||||||
○loop 1064 | libgromacs_mpi.so.7 | 18.476644515991 | 12.740002632141 | 10.095666885376 | ||||||||||||||
○loop 1062 | libgromacs_mpi.so.7 | 6.9710931777954 | 9.4249992370605 | 3.8090159893036 | ||||||||||||||
○loop 1065 | libgromacs_mpi.so.7 | 0.92551386356354 | 0.7399999499321 | 0.50570213794708 | ||||||||||||||
○loop 1063 | libgromacs_mpi.so.7 | 0.73458921909332 | 1.0299997329712 | 0.40138065814972 | ||||||||||||||
○loop 1060 | libgromacs_mpi.so.7 | 0.61688858270645 | 0.56999999284744 | 0.33706885576248 | ||||||||||||||
○loop 1061 | libgromacs_mpi.so.7 | 0.07828626781702 | 0.099999979138374 | 0.042775735259056 | ||||||||||||||
○bool _INTERNAL8eaaea23::__kmp_wait_template | libiomp5.so | 21.829395294189 | 21.506980895996 | 21.75 | 21.719919204712 | 22.006414413452 | 16.020000457764 | 15.604999542236 | 16.18 | 16.135000228882 | 16.694995880127 | 11.927614212036 | 11.690246582031 | 11.89 | 11.876735687256 | 12.210995674133 | 31 | OMP (%): 100.00 |
►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | libgromacs_mpi.so.7 | 7.5200009346008 | 7.3919706344604 | 7.56 | 7.5508170127869 | 7.8471698760986 | 4.7899994850159 | 4.574999332428 | 4.78 | 4.7699990272522 | 5.1349992752075 | 4.1089396476746 | 4.0241684913635 | 4.14 | 4.1236310005188 | 4.3230171203613 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 15443 | libgromacs_mpi.so.7 | 0.016091173514724 | 0.024999998509884 | 0.0087922411039472 | ||||||||||||||
►loop 15444 | libgromacs_mpi.so.7 | 0.0019887965172529 | 0.0049999998882413 | 0.0010866813827306 | ||||||||||||||
►loop 15445 | libgromacs_mpi.so.7 | 0.0034351944923401 | 0.00999999884516 | 0.0018769955495372 | ||||||||||||||
►loop 15446 | libgromacs_mpi.so.7 | 0.010486382991076 | 0.019999999552965 | 0.0057297754101455 | ||||||||||||||
○loop 15448 | libgromacs_mpi.so.7 | 1.6951780319214 | 1.039999961853 | 0.92624789476395 | ||||||||||||||
○loop 15447 | libgromacs_mpi.so.7 | 0.0041583930142224 | 0.0099999997764826 | 0.0022721523419023 | ||||||||||||||
►loop 15449 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15450 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15451 | libgromacs_mpi.so.7 | 0.00090399844339117 | 0.0049999998882413 | 0.00049394613597542 | ||||||||||||||
►loop 15452 | libgromacs_mpi.so.7 | 0.0045199925079942 | 0.01999999769032 | 0.0024697307962924 | ||||||||||||||
►loop 15453 | libgromacs_mpi.so.7 | 0.042307130992413 | 0.054999995976686 | 0.023116681724787 | ||||||||||||||
○loop 15455 | libgromacs_mpi.so.7 | 5.6120228767395 | 3.6549994945526 | 3.0664176940918 | ||||||||||||||
○loop 15454 | libgromacs_mpi.so.7 | 0.12113580107689 | 0.18999998271465 | 0.066188782453537 | ||||||||||||||
►loop 15456 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15457 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15458 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15459 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15460 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15461 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15462 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11] | libgromacs_mpi.so.7 | 4.695011138916 | 4.5738687515259 | 4.69 | 4.6888256072998 | 4.7803268432617 | 3.0750021934509 | 3.0250015258789 | 3.10 | 3.090003490448 | 3.2500023841858 | 2.5653612613678 | 2.5188653469086 | 2.57 | 2.5653612613678 | 2.6163132190704 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 15372 | libgromacs_mpi.so.7 | 0.012294379062951 | 0.024999998509884 | 0.0067176674492657 | ||||||||||||||
►loop 15382 | libgromacs_mpi.so.7 | 1.7528532743454 | 1.3000003099442 | 0.95776164531708 | ||||||||||||||
►loop 15383 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15384 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15385 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15386 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15387 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15388 | libgromacs_mpi.so.7 | 1.4057177305222 | 1.0250002145767 | 0.76808631420135 | ||||||||||||||
►loop 15389 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15391 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15393 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15392 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15390 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15394 | libgromacs_mpi.so.7 | 0.075574278831482 | 0.089999988675117 | 0.041293900460005 | ||||||||||||||
○loop 15395 | libgromacs_mpi.so.7 | 0.0063279890455306 | 0.01999999769032 | 0.0034576228354126 | ||||||||||||||
○loop 15396 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15373 | libgromacs_mpi.so.7 | 0.015729572623968 | 0.024999998509884 | 0.0085946619510651 | ||||||||||||||
►loop 15374 | libgromacs_mpi.so.7 | 0.86187219619751 | 0.5799999833107 | 0.47092825174332 | ||||||||||||||
○loop 15375 | libgromacs_mpi.so.7 | 0.56047904491425 | 0.4549999833107 | 0.30624660849571 | ||||||||||||||
►loop 15376 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15377 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15378 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15379 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15380 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15381 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted] | libgromacs_mpi.so.7 | 4.3234634399414 | 4.2061743736267 | 4.34 | 4.3499827384949 | 4.3974232673645 | 2.5700001716614 | 2.5000004768372 | 2.61 | 2.6000003814697 | 2.7350001335144 | 2.3623471260071 | 2.3302230834961 | 2.37 | 2.3767278194427 | 2.3993153572083 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 15349 | libgromacs_mpi.so.7 | 0.0025311957579106 | 0.00999999884516 | 0.0013830491807312 | ||||||||||||||
►loop 15350 | libgromacs_mpi.so.7 | 0.0023503960110247 | 0.00999999884516 | 0.0012842599535361 | ||||||||||||||
►loop 15351 | libgromacs_mpi.so.7 | 0.0061471895314753 | 0.029999997466803 | 0.0033588337246329 | ||||||||||||||
►loop 15352 | libgromacs_mpi.so.7 | 0.011390380561352 | 0.019999999552965 | 0.0062237214297056 | ||||||||||||||
►loop 15353 | libgromacs_mpi.so.7 | 0.036159940063953 | 0.054999995976686 | 0.019757846370339 | ||||||||||||||
►loop 15354 | libgromacs_mpi.so.7 | 4.2627153396606 | 2.5600001811981 | 2.3291540145874 | ||||||||||||||
○loop 15355 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15356 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15369 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15370 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15371 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15363 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15364 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15365 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15360 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15361 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15362 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15366 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15367 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15368 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15357 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15358 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15359 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_2xmm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs_mpi.so.7 | 4.2207741737366 | 4.1500329971313 | 4.21 | 4.2151885032654 | 4.2485356330872 | 2.3700029850006 | 2.3499972820282 | 2.40 | 2.3950018882751 | 2.4899973869324 | 2.3062374591827 | 2.2788100242615 | 2.30 | 2.2972927093506 | 2.3257827758789 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1066 | libgromacs_mpi.so.7 | 0.09437745064497 | 0.1249999627471 | 0.051567982882261 | ||||||||||||||
○loop 1071 | libgromacs_mpi.so.7 | 2.7389349937439 | 1.940000295639 | 1.4965581893921 | ||||||||||||||
○loop 1069 | libgromacs_mpi.so.7 | 1.0667182207108 | 1.5100001096725 | 0.58285647630692 | ||||||||||||||
○loop 1072 | libgromacs_mpi.so.7 | 0.11788139492273 | 0.11999997496605 | 0.064410574734211 | ||||||||||||||
○loop 1070 | libgromacs_mpi.so.7 | 0.10450222343206 | 0.13499996066093 | 0.057100176811218 | ||||||||||||||
○loop 1067 | libgromacs_mpi.so.7 | 0.088591851294041 | 0.10000000149012 | 0.048406720161438 | ||||||||||||||
○loop 1068 | libgromacs_mpi.so.7 | 0.0092207845300436 | 0.029999997466803 | 0.0050382507033646 | ||||||||||||||
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float) | libgromacs_mpi.so.7 | 3.8504915237427 | 3.7456209659576 | 3.82 | 3.821567773819 | 3.8733239173889 | 2.6300003528595 | 2.5450000762939 | 2.67 | 2.6550004482269 | 2.7850005626678 | 2.1039142608643 | 2.0577418804169 | 2.09 | 2.0890681743622 | 2.1129188537598 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 15113 | libgromacs_mpi.so.7 | 3.8470561504364 | 2.6200006008148 | 2.1020374298096 | ||||||||||||||
►loop 15114 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15115 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15116 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15117 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 2.6029732227325 | 2.5604569911957 | 2.61 | 2.6086831092834 | 2.6516895294189 | 1.8099999427795 | 1.7099999189377 | 1.81 | 1.8050000667572 | 1.9150003194809 | 1.4222685098648 | 1.4057196378708 | 1.43 | 1.4257795810699 | 1.4511406421661 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 13344 | libgromacs_mpi.so.7 | 0.0032543945126235 | 0.0099999997764826 | 0.0017782062059268 | ||||||||||||||
►loop 13345 | libgromacs_mpi.so.7 | 2.5979108810425 | 1.8099999427795 | 1.4195024967194 | ||||||||||||||
○loop 13346 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13340 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13341 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13343 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13342 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13338 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13339 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►clearForceBuffer(nbnxn_atomdata_t*, int) | libgromacs_mpi.so.7 | 1.5378822088242 | 1.3880430459976 | 1.53 | 1.5423847436905 | 1.6258928775787 | 1.2649997472763 | 1.0950000286102 | 1.21 | 1.210000038147 | 1.3700001239777 | 0.84030115604401 | 0.75718683004379 | 0.83 | 0.84030115604401 | 0.88977205753326 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 1757 | libgromacs_mpi.so.7 | 1.5346279144287 | 1.2649997472763 | 0.83852303028107 | ||||||||||||||
○loop 1756 | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.0049999998882413 | 9.8789234471042e-05 | ||||||||||||||
►PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 1.4136724472046 | 1.3781238794327 | 1.40 | 1.4012440443039 | 1.433521270752 | 0.83499956130981 | 0.81500023603439 | 0.85 | 0.84000074863434 | 0.90000039339066 | 0.77243274450302 | 0.76107877492905 | 0.77 | 0.76567870378494 | 0.77919894456863 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3120 | libgromacs_mpi.so.7 | 0.0007231988129206 | 0.0049999998882413 | 0.00039515693788417 | ||||||||||||||
►loop 3158 | libgromacs_mpi.so.7 | 0.004881592001766 | 0.014999998733401 | 0.0026673092506826 | ||||||||||||||
►loop 3159 | libgromacs_mpi.so.7 | 0.005423991009593 | 0.0099999997764826 | 0.0029636770486832 | ||||||||||||||
►loop 3160 | libgromacs_mpi.so.7 | 0.020430367439985 | 0.024999998509884 | 0.011163184419274 | ||||||||||||||
►loop 3161 | libgromacs_mpi.so.7 | 0.054059110581875 | 0.059999998658895 | 0.029537979513407 | ||||||||||||||
○loop 3165 | libgromacs_mpi.so.7 | 0.018079970031977 | 0.019999999552965 | 0.0098789231851697 | ||||||||||||||
►loop 3175 | libgromacs_mpi.so.7 | 0.015187175013125 | 0.034999996423721 | 0.0082982955500484 | ||||||||||||||
►loop 3176 | libgromacs_mpi.so.7 | 0.056409504264593 | 0.064999997615814 | 0.030822237953544 | ||||||||||||||
○loop 3177 | libgromacs_mpi.so.7 | 0.018622368574142 | 0.029999997466803 | 0.010175290517509 | ||||||||||||||
►loop 3179 | libgromacs_mpi.so.7 | 0.015006374567747 | 0.024999998509884 | 0.008199505507946 | ||||||||||||||
►loop 3180 | libgromacs_mpi.so.7 | 0.3227274119854 | 0.23999993503094 | 0.17633874714375 | ||||||||||||||
○loop 3185 | libgromacs_mpi.so.7 | 0.38148728013039 | 0.26999998092651 | 0.20844523608685 | ||||||||||||||
○loop 3191 | libgromacs_mpi.so.7 | 0.18477728962898 | 0.13999998569489 | 0.10096258670092 | ||||||||||||||
○loop 3184 | libgromacs_mpi.so.7 | 0.10956461727619 | 0.10499998182058 | 0.059866271913052 | ||||||||||||||
○loop 3183 | libgromacs_mpi.so.7 | 0.097631841897964 | 0.089999973773956 | 0.053346186876297 | ||||||||||||||
○loop 3192 | libgromacs_mpi.so.7 | 0.045742321759462 | 0.049999997019768 | 0.024993674829602 | ||||||||||||||
○loop 3181 | libgromacs_mpi.so.7 | 0.021515164524317 | 0.035000000149012 | 0.01175591815263 | ||||||||||||||
►loop 3189 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3190 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3187 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3188 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3186 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3182 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3167 | libgromacs_mpi.so.7 | 0.014463975094259 | 0.019999999552965 | 0.0079031381756067 | ||||||||||||||
○loop 3193 | libgromacs_mpi.so.7 | 0.0056047909893095 | 0.014999999664724 | 0.0030624663922936 | ||||||||||||||
○loop 3162 | libgromacs_mpi.so.7 | 0.0050623915158212 | 0.014999998733401 | 0.0027660983614624 | ||||||||||||||
○loop 3194 | libgromacs_mpi.so.7 | 0.0019887965172529 | 0.0049999998882413 | 0.0010866813827306 | ||||||||||||||
○loop 3178 | libgromacs_mpi.so.7 | 0.0018079968867823 | 0.0049999998882413 | 0.00098789227195084 | ||||||||||||||
○loop 3168 | libgromacs_mpi.so.7 | 0.0016271972563118 | 0.0049999998882413 | 0.00088910310296342 | ||||||||||||||
○loop 3166 | libgromacs_mpi.so.7 | 0.0010847982484847 | 0.0049999998882413 | 0.00059273542137817 | ||||||||||||||
○loop 3169 | libgromacs_mpi.so.7 | 0.00090399844339117 | 0.0049999998882413 | 0.00049394613597542 | ||||||||||||||
○loop 3164 | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00499999942258 | 0.00019757846894208 | ||||||||||||||
○loop 3171 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3172 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3173 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3174 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3163 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3170 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3196 | libgromacs_mpi.so.7 | 0.0047007920220494 | 0.014999999664724 | 0.0025685199070722 | ||||||||||||||
○loop 3195 | libgromacs_mpi.so.7 | 0.0034351944923401 | 0.0099999997764826 | 0.0018769955495372 | ||||||||||||||
○loop 3157 | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00499999942258 | 0.00019757846894208 | ||||||||||||||
○loop 3197 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3199 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3156 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3122 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3123 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3124 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3125 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3137 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3138 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3139 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3140 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3144 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3145 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3143 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3141 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3146 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3147 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3142 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3148 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3149 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3150 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3151 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3127 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3126 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3128 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3129 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3130 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3131 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3132 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3133 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3134 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3135 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3136 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3152 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3153 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3154 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3155 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3121 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3198 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted] | libgromacs_mpi.so.7 | 1.2925369739532 | 1.2356214523315 | 1.35 | 1.3465749025345 | 1.4580382108688 | 0.95499992370605 | 0.86000090837479 | 0.97 | 0.97499936819077 | 1.1100000143051 | 0.70624417066574 | 0.68070560693741 | 0.74 | 0.73561137914658 | 0.80061823129654 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1617 | libgromacs_mpi.so.7 | 0.0010847982484847 | 0.014999999664724 | 0.00059273542137817 | ||||||||||||||
►loop 1618 | libgromacs_mpi.so.7 | 0.041222330182791 | 0.044999998062849 | 0.022523943334818 | ||||||||||||||
○loop 1626 | libgromacs_mpi.so.7 | 0.35635617375374 | 0.26999998092651 | 0.19471354782581 | ||||||||||||||
►loop 1622 | libgromacs_mpi.so.7 | 0.096366234123707 | 0.11999998241663 | 0.052654657512903 | ||||||||||||||
○loop 1623 | libgromacs_mpi.so.7 | 0.43265369534492 | 0.52500003576279 | 0.23640263080597 | ||||||||||||||
○loop 1624 | libgromacs_mpi.so.7 | 0.21659804880619 | 0.30999994277954 | 0.11834950000048 | ||||||||||||||
○loop 1625 | libgromacs_mpi.so.7 | 0.016452772542834 | 0.024999998509884 | 0.0089898193255067 | ||||||||||||||
►loop 1619 | libgromacs_mpi.so.7 | 0.0084975855425 | 0.064999990165234 | 0.0046430937945843 | ||||||||||||||
○loop 1620 | libgromacs_mpi.so.7 | 0.067980691790581 | 0.35499998927116 | 0.037144754081964 | ||||||||||||||
○loop 1621 | libgromacs_mpi.so.7 | 0.054782304912806 | 0.25499999523163 | 0.029933134093881 | ||||||||||||||
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | libgromacs_mpi.so.7 | 1.0705149173737 | 1.0037018060684 | 1.06 | 1.0624499320984 | 1.0840973854065 | 0.67499989271164 | 0.6399998664856 | 0.70 | 0.69499981403351 | 0.76500016450882 | 0.58493095636368 | 0.55977076292038 | 0.58 | 0.58056950569153 | 0.59413385391235 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 15274 | libgromacs_mpi.so.7 | 0.12185899913311 | 0.10499998182058 | 0.066583938896656 | ||||||||||||||
○loop 15276 | libgromacs_mpi.so.7 | 0.71452039480209 | 0.49499994516373 | 0.39041504263878 | ||||||||||||||
○loop 15279 | libgromacs_mpi.so.7 | 0.072139076888561 | 0.069999992847443 | 0.039416901767254 | ||||||||||||||
○loop 15286 | libgromacs_mpi.so.7 | 0.038871936500072 | 0.03999999538064 | 0.021239684894681 | ||||||||||||||
○loop 15278 | libgromacs_mpi.so.7 | 0.035979140549898 | 0.03999999538064 | 0.01965905725956 | ||||||||||||||
○loop 15283 | libgromacs_mpi.so.7 | 0.022057563066483 | 0.024999998509884 | 0.012052286416292 | ||||||||||||||
○loop 15281 | libgromacs_mpi.so.7 | 0.016995171085 | 0.034999996423721 | 0.0092861875891685 | ||||||||||||||
○loop 15285 | libgromacs_mpi.so.7 | 0.01681437343359 | 0.029999997466803 | 0.0091873984783888 | ||||||||||||||
○loop 15288 | libgromacs_mpi.so.7 | 0.0072319875471294 | 0.01999999769032 | 0.0039515690878034 | ||||||||||||||
○loop 15289 | libgromacs_mpi.so.7 | 0.0070511880330741 | 0.01999999769032 | 0.003852779744193 | ||||||||||||||
○loop 15293 | libgromacs_mpi.so.7 | 0.004881592001766 | 0.014999998733401 | 0.0026673092506826 | ||||||||||||||
○loop 15291 | libgromacs_mpi.so.7 | 0.0036159937735647 | 0.014999999664724 | 0.0019757845439017 | ||||||||||||||
○loop 15287 | libgromacs_mpi.so.7 | 0.0030735947657377 | 0.0099999997764826 | 0.0016794168623164 | ||||||||||||||
○loop 15282 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15275 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15280 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15284 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15277 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15290 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15294 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15292 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○_ZN17_INTERNAL8eaaea2326__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 1.0556894540787 | 1.0086168050766 | 1.06 | 1.0665220022202 | 1.0931315422058 | 6.3949995040894 | 5.8500008583069 | 6.25 | 6.2649998664856 | 6.7499990463257 | 0.57683032751083 | 0.55266374349594 | 0.58 | 0.58216637372971 | 0.59828019142151 | 31 | OMP (%): 100.00 |
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18] | libgromacs_mpi.so.7 | 1.0139248371124 | 0.95543295145035 | 1.01 | 1.0115710496902 | 1.0410062074661 | 0.73000007867813 | 0.64499980211258 | 0.69 | 0.68499994277954 | 0.74000024795532 | 0.55401009321213 | 0.52361994981766 | 0.55 | 0.55401009321213 | 0.56584507226944 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 15397 | libgromacs_mpi.so.7 | 0.0075935875065625 | 0.014999999664724 | 0.0041491477750242 | ||||||||||||||
○loop 15406 | libgromacs_mpi.so.7 | 0.80708992481232 | 0.6149999499321 | 0.44099515676498 | ||||||||||||||
○loop 15399 | libgromacs_mpi.so.7 | 0.19291327893734 | 0.15500000119209 | 0.10540810227394 | ||||||||||||||
○loop 15401 | libgromacs_mpi.so.7 | 0.0019887965172529 | 0.0049999998882413 | 0.0010866813827306 | ||||||||||||||
○loop 15404 | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.0049999998882413 | 0.00019757846894208 | ||||||||||||||
○loop 15403 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15400 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15405 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15409 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15408 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15398 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15407 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15402 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○mkl_dft_avx512_owns_cRealRecombine_32f | libmkl_avx512.so.2 | 0.96420484781265 | 0.92906564474106 | 1.00 | 0.97569018602371 | 1.4132651090622 | 0.68499982357025 | 0.60999983549118 | 0.68 | 0.66500002145767 | 1.0550001859665 | 0.52684301137924 | 0.51814568042755 | 0.55 | 0.53349447250366 | 0.77856981754303 | 31 | Math (%): 100.00 |
►gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding | libgromacs_mpi.so.7 | 0.87127393484116 | 0.83355128765106 | 0.87 | 0.87074589729309 | 0.90056073665619 | 0.69000005722046 | 0.61500006914139 | 0.69 | 0.68000036478043 | 0.7750004529953 | 0.4760654270649 | 0.45656928420067 | 0.48 | 0.47621035575867 | 0.49023628234863 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 13583 | libgromacs_mpi.so.7 | 0.77906608581543 | 0.60500007867813 | 0.42568290233612 | ||||||||||||||
○loop 13584 | libgromacs_mpi.so.7 | 0.088772654533386 | 0.084999993443489 | 0.048505514860153 | ||||||||||||||
○loop 13581 | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00499999942258 | 0.00019757846894208 | ||||||||||||||
○loop 13582 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13578 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13577 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13579 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13580 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►gmx::do_lincs(gmx::ArrayRefWithPadding | libgromacs_mpi.so.7 | 0.81197166442871 | 0.77152341604233 | 0.82 | 0.81881201267242 | 0.84520387649536 | 0.64999997615814 | 0.60000032186508 | 0.66 | 0.65499991178513 | 0.7150000333786 | 0.44366252422333 | 0.42503336071968 | 0.45 | 0.44745469093323 | 0.45941558480263 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 13337 | libgromacs_mpi.so.7 | 0.31350666284561 | 0.25499996542931 | 0.17130051553249 | ||||||||||||||
►loop 13335 | libgromacs_mpi.so.7 | 0.090038254857063 | 0.079999998211861 | 0.049197036772966 | ||||||||||||||
○loop 13336 | libgromacs_mpi.so.7 | 0.18351168930531 | 0.18999998271465 | 0.10027106851339 | ||||||||||||||
○loop 13334 | libgromacs_mpi.so.7 | 0.010667181573808 | 0.015000000596046 | 0.0058285645209253 | ||||||||||||||
○loop 13326 | libgromacs_mpi.so.7 | 0.0072319875471294 | 0.01999999769032 | 0.0039515690878034 | ||||||||||||||
►loop 13329 | libgromacs_mpi.so.7 | 0.0045199925079942 | 0.01999999769032 | 0.0024697307962924 | ||||||||||||||
○loop 13330 | libgromacs_mpi.so.7 | 0.16597411036491 | 0.1599999666214 | 0.09068851172924 | ||||||||||||||
○loop 13332 | libgromacs_mpi.so.7 | 0.024407960474491 | 0.029999997466803 | 0.013336546719074 | ||||||||||||||
○loop 13331 | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00499999942258 | 0.00019757846894208 | ||||||||||||||
○loop 13328 | libgromacs_mpi.so.7 | 0.0028927952516824 | 0.015000000596046 | 0.0015806277515367 | ||||||||||||||
○loop 13333 | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00499999942258 | 9.8789234471042e-05 | ||||||||||||||
○loop 13327 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►gmx::lincs_update_atoms_ind(gmx::ArrayRef | libgromacs_mpi.so.7 | 0.81052505970001 | 0.80020225048065 | 0.81 | 0.81163376569748 | 0.84102255105972 | 0.80499994754791 | 0.71000003814697 | 0.84 | 0.84999984502792 | 0.94500011205673 | 0.44287213683128 | 0.43651568889618 | 0.45 | 0.44299319386482 | 0.45714277029037 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 13350 | libgromacs_mpi.so.7 | 0.80907869338989 | 0.80499994754791 | 0.44208180904388 | ||||||||||||||
○loop 13349 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►__intel_avx_rep_memcpy | gmx_mpi | 0.58651423454285 | 0.53377485275269 | 0.57 | 0.5650509595871 | 0.59748339653015 | 0.41499999165535 | 0.34999996423721 | 0.41 | 0.4050001502037 | 0.48499989509583 | 0.32047227025032 | 0.29362154006958 | 0.31 | 0.30857065320015 | 0.32808199524879 | 31 | Memory (%): 100.00 |
○loop 87 | gmx_mpi | 0.23811319470406 | 0.19499997794628 | 0.13010542094707 | ||||||||||||||
○loop 86 | gmx_mpi | 0 | 0 | 0 | ||||||||||||||
○mkl_dft_avx512_mg_rowbatch_plain_bwd_096_s | libmkl_avx512.so.2 | 0.57458132505417 | 0.56177186965942 | 0.61 | 0.58868318796158 | 1.0003414154053 | 0.40499997138977 | 0.38000002503395 | 0.45 | 0.41000002622604 | 0.90499997138977 | 0.31395211815834 | 0.30709481239319 | 0.33 | 0.32112979888916 | 0.55789661407471 | 31 | Math (%): 100.00 |
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::Array... | libgromacs_mpi.so.7 | 0.56680715084076 | 0.54474049806595 | 0.58 | 0.57653474807739 | 0.60173010826111 | 0.48000040650368 | 0.4649997651577 | 0.53 | 0.5249999165535 | 0.61500012874603 | 0.30970430374146 | 0.30380517244339 | 0.31 | 0.31464076042175 | 0.32869705557823 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 14751 | libgromacs_mpi.so.7 | 0.5662647485733 | 0.48000040650368 | 0.30940791964531 | ||||||||||||||
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayR... | libgromacs_mpi.so.7 | 0.56120234727859 | 0.54562479257584 | 0.57 | 0.57309502363205 | 0.58523643016815 | 0.39500024914742 | 0.37500002980232 | 0.42 | 0.41999968886375 | 0.44000017642975 | 0.3066418170929 | 0.30262556672096 | 0.31 | 0.31257283687592 | 0.32055732607841 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 14760 | libgromacs_mpi.so.7 | 0.56029832363129 | 0.39500024914742 | 0.30614787340164 | ||||||||||||||
►nbnxn_kernel_prune_2xnn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.56029832363129 | 0.54551291465759 | 0.56 | 0.55868488550186 | 0.57978171110153 | 0.38999998569489 | 0.34999996423721 | 0.39 | 0.38999998569489 | 0.43999990820885 | 0.30614787340164 | 0.29695504903793 | 0.31 | 0.30556783080101 | 0.31528952717781 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1542 | libgromacs_mpi.so.7 | 0.020611165091395 | 0.03999999910593 | 0.011261971667409 | ||||||||||||||
○loop 1543 | libgromacs_mpi.so.7 | 0.53950625658035 | 0.36000001430511 | 0.29478704929352 | ||||||||||||||
►gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.55433189868927 | 0.51402378082275 | 0.56 | 0.55229181051254 | 0.60151124000549 | 0.39000001549721 | 0.34999993443489 | 0.40 | 0.39000001549721 | 0.47499990463257 | 0.30288779735565 | 0.28045278787613 | 0.30 | 0.30288779735565 | 0.32881850004196 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 13719 | libgromacs_mpi.so.7 | 0.48110795021057 | 0.34499996900558 | 0.26287811994553 | ||||||||||||||
○loop 13718 | libgromacs_mpi.so.7 | 0.06147189438343 | 0.079999983310699 | 0.033588334918022 | ||||||||||||||
○loop 13702 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13713 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13727 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13728 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13720 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13715 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13704 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13705 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13708 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13712 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13729 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13717 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13711 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13716 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13723 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13722 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13710 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13732 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13721 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13714 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13707 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13709 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13731 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13703 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13724 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13706 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13730 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13726 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13725 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○mkl_dft_avx512_mg_rowbatch_plain_fwd_096_s | libmkl_avx512.so.2 | 0.52793502807617 | 0.47956076264381 | 0.57 | 0.54421591758728 | 1.0289933681488 | 0.36999988555908 | 0.33500000834465 | 0.42 | 0.40000006556511 | 0.72000002861023 | 0.28846448659897 | 0.26244267821312 | 0.31 | 0.29727974534035 | 0.57387602329254 | 31 | Math (%): 100.00 |
○mkl_dft_avx512_ipps_cFFTfwd_64_32fc | libmkl_avx512.so.2 | 0.52070307731628 | 0.47524812817574 | 0.52 | 0.5176448225975 | 0.59782314300537 | 0.35499998927116 | 0.32000002264977 | 0.37 | 0.36999985575676 | 0.51499998569489 | 0.28451293706894 | 0.25979626178741 | 0.28 | 0.28284561634064 | 0.32934162020683 | 31 | Math (%): 100.00 |
►__intel_avx_rep_memset | gmx_mpi | 0.48128879070282 | 0.43897590041161 | 0.48 | 0.48130679130554 | 0.51011955738068 | 0.43500000238419 | 0.35500001907349 | 0.43 | 0.43499994277954 | 0.50499993562698 | 0.26297691464424 | 0.2448195964098 | 0.26 | 0.26260149478912 | 0.2782729268074 | 31 | Memory (%): 100.00 |
○loop 88 | gmx_mpi | 0.0012655978789553 | 0.0049999998882413 | 0.00069152459036559 | ||||||||||||||
►void gmx::(anonymous namespace)::reduceThreadForceBuffers | libgromacs_mpi.so.7 | 0.46790960431099 | 0.4413001537323 | 0.46 | 0.46319606900215 | 0.49023625254631 | 0.3199999332428 | 0.31499990820885 | 0.35 | 0.34499996900558 | 0.39999997615814 | 0.25566652417183 | 0.24251994490623 | 0.25 | 0.25269395112991 | 0.26762187480927 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 4476 | libgromacs_mpi.so.7 | 0.021515162661672 | 0.03999999538064 | 0.011755917221308 | ||||||||||||||
►loop 4477 | libgromacs_mpi.so.7 | 0.098716631531715 | 0.10499998182058 | 0.053938917815685 | ||||||||||||||
○loop 4478 | libgromacs_mpi.so.7 | 0.15060614049435 | 0.15500000119209 | 0.082291424274445 | ||||||||||||||
○loop 4479 | libgromacs_mpi.so.7 | 0.09853583574295 | 0.12999998033047 | 0.053840130567551 | ||||||||||||||
○loop 4482 | libgromacs_mpi.so.7 | 0.079913467168808 | 0.089999988675117 | 0.043664839118719 | ||||||||||||||
○loop 4480 | libgromacs_mpi.so.7 | 0.01374077796936 | 0.03999999538064 | 0.007507982198149 | ||||||||||||||
○loop 4481 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○_INTERNAL8eaaea23::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*) | libiomp5.so | 0.40444892644882 | 0.38005396723747 | 0.41 | 0.4041939675808 | 0.44728851318359 | 2.4300003051758 | 2.0049993991852 | 2.27 | 2.2200002670288 | 2.9600005149841 | 0.22099152207375 | 0.20775800943375 | 0.22 | 0.22099152207375 | 0.24945560097694 | 31 | OMP (%): 100.00 |
○kmp_flag_native | libiomp5.so | 0.39866334199905 | 0.38002493977547 | 0.40 | 0.39916974306107 | 0.41389039158821 | 0.36000001430511 | 0.31999996304512 | 0.38 | 0.37000000476837 | 0.43999996781349 | 0.21783025562763 | 0.2079691439867 | 0.22 | 0.21792137622833 | 0.22765658795834 | 31 | OMP (%): 100.00 |
►gmx::ThreadForceBuffer | libgromacs_mpi.so.7 | 0.38926169276237 | 0.36015257239342 | 0.37 | 0.36909076571465 | 0.39175966382027 | 0.39500004053116 | 0.31000003218651 | 0.38 | 0.39000004529953 | 0.42999976873398 | 0.21269316971302 | 0.19576305150986 | 0.20 | 0.20219670236111 | 0.21439099311829 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 4536 | libgromacs_mpi.so.7 | 0.37208572030067 | 0.39000004529953 | 0.20330820977688 | ||||||||||||||
○loop 4535 | libgromacs_mpi.so.7 | 0.0097631840035319 | 0.01999999769032 | 0.0053346185013652 | ||||||||||||||
○loop 4527 | libgromacs_mpi.so.7 | 0.00054239912424237 | 0.0049999998882413 | 0.00029636771068908 | ||||||||||||||
○loop 4529 | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.0049999998882413 | 9.8789234471042e-05 | ||||||||||||||
○loop 4528 | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00499999942258 | 9.8789234471042e-05 | ||||||||||||||
○loop 4534 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4526 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4525 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4530 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4532 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4533 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4531 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►void do_pairs_simple | libgromacs_mpi.so.7 | 0.37298968434334 | 0.35638040304184 | 0.38 | 0.37839996814728 | 0.39783480763435 | 0.26999992132187 | 0.24499994516373 | 0.28 | 0.27999997138977 | 0.31499990820885 | 0.20380212366581 | 0.19870355725288 | 0.21 | 0.20664083957672 | 0.21863320469856 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 14979 | libgromacs_mpi.so.7 | 0.37298968434334 | 0.26999992132187 | 0.20380212366581 | ||||||||||||||
►gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.33249062299728 | 0.30907490849495 | 0.33 | 0.32524684071541 | 0.3391225039959 | 0.30499997735023 | 0.22499997913837 | 0.26 | 0.25499999523163 | 0.30499997735023 | 0.18167339265347 | 0.16914165019989 | 0.18 | 0.17805184423923 | 0.18527062237263 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 13734 | libgromacs_mpi.so.7 | 0.3294170498848 | 0.30499997735023 | 0.17999398708344 | ||||||||||||||
○loop 13733 | libgromacs_mpi.so.7 | 0.00054239912424237 | 0.00499999942258 | 0.00029636771068908 | ||||||||||||||
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int) | libgromacs_mpi.so.7 | 0.28927952051163 | 0.27459865808487 | 0.30 | 0.29376703500748 | 0.32553127408028 | 0.3850000500679 | 0.30999997258186 | 0.37 | 0.37000003457069 | 0.42500004172325 | 0.15806277096272 | 0.14978140592575 | 0.16 | 0.16097709536552 | 0.17933565378189 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 1554 | libgromacs_mpi.so.7 | 0.28385552763939 | 0.3850000500679 | 0.15509909391403 | ||||||||||||||
○loop 1552 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1551 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1553 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1559 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1549 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1550 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1557 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1555 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1556 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1558 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*) | libgromacs_mpi.so.7 | 0.24624916911125 | 0.23200890421867 | 0.25 | 0.24624916911125 | 0.25739139318466 | 0.24499996006489 | 0.20000001788139 | 0.25 | 0.24500000476837 | 0.31000000238419 | 0.13455091416836 | 0.12712749838829 | 0.13 | 0.13483247160912 | 0.14048533141613 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 4790 | libgromacs_mpi.so.7 | 0.00054239912424237 | 0.0049999998882413 | 0.00029636771068908 | ||||||||||||||
○loop 4791 | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00499999942258 | 9.8789234471042e-05 | ||||||||||||||
►loop 4783 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4784 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4789 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4793 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4787 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4785 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4786 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4788 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4792 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○mkl_dft_avx512_ipps_cFFTinv_64_32fc | libmkl_avx512.so.2 | 0.21370522677898 | 0.20038661360741 | 0.22 | 0.21730460226536 | 0.24217922985554 | 0.17999996244907 | 0.14999994635582 | 0.17 | 0.17000006139278 | 0.22000005841255 | 0.11676886677742 | 0.11061004549265 | 0.12 | 0.11860284209251 | 0.1326512247324 | 31 | Math (%): 100.00 |
○_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@608 | libgromacs_mpi.so.7 | 0.20285722613335 | 0.18777984380722 | 0.20 | 0.19918678700924 | 0.2173343449831 | 0.16499996185303 | 0.14999997615814 | 0.17 | 0.16499997675419 | 0.20000003278255 | 0.11084150522947 | 0.10276371240616 | 0.11 | 0.10877063125372 | 0.11837231367826 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted] | libgromacs_mpi.so.7 | 0.18098048865795 | 0.16309149563313 | 0.18 | 0.17889879643917 | 0.20421051979065 | 0.15999999642372 | 0.13499999046326 | 0.16 | 0.15499998629093 | 0.18999996781349 | 0.098888017237186 | 0.088828653097153 | 0.10 | 0.098555609583855 | 0.1117555052042 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1613 | libgromacs_mpi.so.7 | 0.00090399844339117 | 0.0049999998882413 | 0.00049394613597542 | ||||||||||||||
○loop 1616 | libgromacs_mpi.so.7 | 0.17881090939045 | 0.15999999642372 | 0.097702547907829 | ||||||||||||||
○loop 1615 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1614 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○_INTERNAL8eaaea23::__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*) | libiomp5.so | 0.14445894956589 | 0.13051219284534 | 0.14 | 0.14313526451588 | 0.15085144340992 | 0.47499993443489 | 0.4099999666214 | 0.49 | 0.48499995470047 | 0.59499990940094 | 0.078932590782642 | 0.071266733109951 | 0.08 | 0.078409977257252 | 0.082562267780304 | 31 | OMP (%): 100.00 |
○DftiComputeBackward | libmkl_intel_lp64.so.2 | 0.121497400105 | 0.1214554309845 | 0.13 | 0.12925377488136 | 0.16506098210812 | 0.10499997437 | 0.099999986588955 | 0.12 | 0.11999997496605 | 0.15000000596046 | 0.066386364400387 | 0.066290892660618 | 0.07 | 0.070340313017368 | 0.090710550546646 | 31 | Math (%): 100.00 |
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted] | libgromacs_mpi.so.7 | 0.11878540366888 | 0.10386454313993 | 0.12 | 0.12100740522146 | 0.13416400551796 | 0.10999999195337 | 0.094999998807907 | 0.11 | 0.10999999195337 | 0.13999998569489 | 0.064904518425465 | 0.056777957826853 | 0.07 | 0.065804712474346 | 0.07320024818182 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 15188 | libgromacs_mpi.so.7 | 0.00054239912424237 | 0.00499999942258 | 0.00029636771068908 | ||||||||||||||
►loop 15189 | libgromacs_mpi.so.7 | 0.0072319875471294 | 0.024999998509884 | 0.0039515690878034 | ||||||||||||||
○loop 15190 | libgromacs_mpi.so.7 | 0.10974541306496 | 0.10999999195337 | 0.059965059161186 | ||||||||||||||
○loop 15191 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○DftiComputeForward | libmkl_intel_lp64.so.2 | 0.10866062343121 | 0.094832852482796 | 0.11 | 0.10199170559645 | 0.14907574653625 | 0.089999988675117 | 0.084999985992908 | 0.10 | 0.099999994039536 | 0.17000000178814 | 0.059372328221798 | 0.051660552620888 | 0.06 | 0.055452566593885 | 0.081925734877586 | 31 | Math (%): 100.00 |
○evaluate_single(float, float, float const*, float, float, float, float, float*, float*) | libgromacs_mpi.so.7 | 0.10793742537498 | 0.095960766077042 | 0.11 | 0.10794122517109 | 0.11693026125431 | 0.090000003576279 | 0.08500000089407 | 0.10 | 0.099999986588955 | 0.14499996602535 | 0.058977171778679 | 0.052356455475092 | 0.06 | 0.059081021696329 | 0.063821040093899 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__libm_atan2f_l9 | gmx_mpi | 0.10558702796698 | 0.091969162225723 | 0.10 | 0.10182570666075 | 0.11260764300823 | 0.11999998241663 | 0.095000006258488 | 0.11 | 0.11499997973442 | 0.14500001072884 | 0.057692915201187 | 0.051291774958372 | 0.06 | 0.055622629821301 | 0.061428226530552 | 31 | Math (%): 100.00 |
○mkl_dft_avx512_owns_cCcsRecombine_32f | libmkl_avx512.so.2 | 0.090580649673939 | 0.084455952048302 | 0.09 | 0.091855049133301 | 0.10228827595711 | 0.089999988675117 | 0.070000000298023 | 0.09 | 0.08500000089407 | 0.10500001907349 | 0.049493405967951 | 0.046259891241789 | 0.05 | 0.05000563710928 | 0.055798940360546 | 31 | Math (%): 100.00 |
○__libm_sincosf_e7 | gmx_mpi | 0.089134261012077 | 0.080744385719299 | 0.09 | 0.085999265313148 | 0.095264986157417 | 0.07999999076128 | 0.069999992847443 | 0.08 | 0.084999985992908 | 0.10499998927116 | 0.048703093081713 | 0.044046603143215 | 0.05 | 0.046930178999901 | 0.051781844347715 | 31 | Exe (%): 100.00 |
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, ... | libgromacs_mpi.so.7 | 0.089134261012077 | 0.075866281986237 | 0.08 | 0.083734102547169 | 0.091494247317314 | 0.099999979138374 | 0.074999995529652 | 0.09 | 0.089999996125698 | 0.12999999523163 | 0.048703093081713 | 0.041472602635622 | 0.05 | 0.045864503830671 | 0.04979145899415 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 14807 | libgromacs_mpi.so.7 | 0.088591851294041 | 0.099999979138374 | 0.048406720161438 | ||||||||||||||
○void do_dih_fup<(BondedKernelFlavor)2>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int) | libgromacs_mpi.so.7 | 0.079551868140697 | 0.079551868140697 | 0.09 | 0.084816873073578 | 0.093628756701946 | 0.079999998211861 | 0.074999995529652 | 0.09 | 0.080000005662441 | 0.10000001639128 | 0.04346726089716 | 0.04346726089716 | 0.05 | 0.046457584947348 | 0.050952047109604 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*) | libgromacs_mpi.so.7 | 0.07792466878891 | 0.077417954802513 | 0.08 | 0.083076104521751 | 0.094822607934475 | 0.10499998182058 | 0.074999988079071 | 0.10 | 0.099999994039536 | 0.15000000596046 | 0.042578157037497 | 0.042268939316273 | 0.05 | 0.045358523726463 | 0.051957316696644 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○mkl_dft_avx512_ippsFFTFwd_RToPerm_32f | libmkl_avx512.so.2 | 0.076297469437122 | 0.064201556146145 | 0.07 | 0.071179941296577 | 0.087477572262287 | 0.11500000208616 | 0.084999993443489 | 0.11 | 0.10999999940395 | 0.14499999582767 | 0.041689053177834 | 0.035257034003735 | 0.04 | 0.038929514586926 | 0.048191521316767 | 31 | Math (%): 100.00 |
○gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.073585473001003 | 0.068596608936787 | 0.09 | 0.079477101564407 | 0.15266793966293 | 0.084999985992908 | 0.070000000298023 | 0.10 | 0.089999996125698 | 0.21499998867512 | 0.040207214653492 | 0.037443935871124 | 0.05 | 0.043355289846659 | 0.083899855613708 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs_mpi.so.7 | 0.067799888551235 | 0.052307181060314 | 0.06 | 0.057771012187004 | 0.067799888551235 | 0.069999992847443 | 0.054999995976686 | 0.07 | 0.064999997615814 | 0.095000006258488 | 0.03704596310854 | 0.028552236035466 | 0.03 | 0.031509973108768 | 0.03704596310854 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, g... | libgromacs_mpi.so.7 | 0.066715091466904 | 0.066715091466904 | 0.08 | 0.077590100467205 | 0.084495693445206 | 0.064999997615814 | 0.060000002384186 | 0.08 | 0.07999999076128 | 0.11499999463558 | 0.036453224718571 | 0.036453224718571 | 0.04 | 0.042383845895529 | 0.045931465923786 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 14816 | libgromacs_mpi.so.7 | 0.023323159664869 | 0.029999995604157 | 0.012743809260428 | ||||||||||||||
○loop 14817 | libgromacs_mpi.so.7 | 0.043391928076744 | 0.054999999701977 | 0.023709416389465 | ||||||||||||||
►dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.062195096164942 | 0.053220428526402 | 0.06 | 0.062195096164942 | 0.067894548177719 | 0.070000000298023 | 0.054999999701977 | 0.07 | 0.070000000298023 | 0.094999998807907 | 0.033983495086432 | 0.029032025486231 | 0.03 | 0.033983495086432 | 0.036948427557945 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3664 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3665 | libgromacs_mpi.so.7 | 0.052612707018852 | 0.064999997615814 | 0.028747662901878 | ||||||||||||||
►loop 3669 | libgromacs_mpi.so.7 | 0.0079551860690117 | 0.014999999664724 | 0.0043467255309224 | ||||||||||||||
○loop 3670 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3667 | libgromacs_mpi.so.7 | 0.0010847982484847 | 0.0049999998882413 | 0.00059273542137817 | ||||||||||||||
○loop 3668 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3666 | libgromacs_mpi.so.7 | 0.00054239912424237 | 0.0049999998882413 | 0.00029636771068908 | ||||||||||||||
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::Array... | libgromacs_mpi.so.7 | 0.059483099728823 | 0.05358861386776 | 0.06 | 0.060023318976164 | 0.064722009003162 | 0.19999997317791 | 0.13500002026558 | 0.20 | 0.19999997317791 | 0.25499996542931 | 0.03250165656209 | 0.029251612722874 | 0.03 | 0.032778196036816 | 0.035369575023651 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 14761 | libgromacs_mpi.so.7 | 0.036883134394884 | 0.12999996542931 | 0.020152999088168 | ||||||||||||||
○loop 14762 | libgromacs_mpi.so.7 | 0.021695964038372 | 0.069999992847443 | 0.011854708194733 | ||||||||||||||
►do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.05767510831356 | 0.053553182631731 | 0.06 | 0.060679771006107 | 0.069477654993534 | 0.095000006258488 | 0.054999992251396 | 0.07 | 0.065000005066395 | 0.095000006258488 | 0.031513765454292 | 0.029143812134862 | 0.03 | 0.033183008432388 | 0.038055680692196 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 14978 | libgromacs_mpi.so.7 | 0.055686309933662 | 0.090000011026859 | 0.03042708337307 | ||||||||||||||
○loop 14977 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►calc_ke_part_normal(gmx::ArrayRef | libgromacs_mpi.so.7 | 0.055686309933662 | 0.049195092171431 | 0.06 | 0.055913157761097 | 0.063415423035622 | 0.070000000298023 | 0.045000001788139 | 0.06 | 0.059999994933605 | 0.074999995529652 | 0.03042708337307 | 0.026781672611833 | 0.03 | 0.030598770827055 | 0.034685578197241 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 13413 | libgromacs_mpi.so.7 | 0.00054239912424237 | 0.0049999998882413 | 0.00029636771068908 | ||||||||||||||
○loop 13414 | libgromacs_mpi.so.7 | 0.05423991009593 | 0.064999990165234 | 0.029636770486832 | ||||||||||||||
►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int) | libgromacs_mpi.so.7 | 0.048273518681526 | 0.038181811571121 | 0.05 | 0.04670200496912 | 0.055525649338961 | 0.054999995976686 | 0.040000002831221 | 0.05 | 0.050000000745058 | 0.074999995529652 | 0.026376724243164 | 0.0210344158113 | 0.03 | 0.025501828640699 | 0.030324954539537 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 15152 | libgromacs_mpi.so.7 | 0.045742321759462 | 0.050000000745058 | 0.024993674829602 | ||||||||||||||
○loop 15153 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15154 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►rebalanceSimpleLists(gmx::ArrayRef | libgromacs_mpi.so.7 | 0.047007918357849 | 0.043559528887272 | 0.05 | 0.049595601856709 | 0.053231067955494 | 0.03999999910593 | 0.03999999910593 | 0.05 | 0.054999988526106 | 0.064999997615814 | 0.025685198605061 | 0.023997006937861 | 0.03 | 0.027164049446583 | 0.029133815318346 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3207 | libgromacs_mpi.so.7 | 0.00054239912424237 | 0.0049999998882413 | 0.00029636771068908 | ||||||||||||||
►loop 3208 | libgromacs_mpi.so.7 | 0.0032543945126235 | 0.014999999664724 | 0.0017782062059268 | ||||||||||||||
○loop 3210 | libgromacs_mpi.so.7 | 0.028023952618241 | 0.03999999910593 | 0.015312330797315 | ||||||||||||||
○loop 3209 | libgromacs_mpi.so.7 | 0.015187175013125 | 0.029999997466803 | 0.0082982955500484 | ||||||||||||||
○loop 3205 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3206 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○__libm_acosf_l9 | gmx_mpi | 0.044657524675131 | 0.036670316010714 | 0.04 | 0.043260581791401 | 0.054340858012438 | 0.059999994933605 | 0.03999999538064 | 0.05 | 0.050000000745058 | 0.065000005066395 | 0.024400940164924 | 0.019956102594733 | 0.02 | 0.023611811921 | 0.02973810583353 | 31 | Math (%): 100.00 |
○compute_mg_row_fwd | libmkl_avx512.so.2 | 0.043572723865509 | 0.035547528415918 | 0.05 | 0.044893424957991 | 0.054474048316479 | 0.069999992847443 | 0.03999999538064 | 0.06 | 0.050000004470348 | 0.11000001430511 | 0.023808201774955 | 0.019455462694168 | 0.02 | 0.024513386189938 | 0.030380515381694 | 31 | Math (%): 100.00 |
○compute_mg_row_bwd | libmkl_avx512.so.2 | 0.043211128562689 | 0.041848972439766 | 0.05 | 0.046153396368027 | 0.05472282320261 | 0.044999998062849 | 0.044999994337559 | 0.07 | 0.050000004470348 | 0.24499996006489 | 0.023610627278686 | 0.022828659042716 | 0.03 | 0.025193151086569 | 0.029744911938906 | 31 | Math (%): 100.00 |
○__kmp_init_implicit_task | libiomp5.so | 0.037606336176395 | 0.029480623081326 | 0.04 | 0.040875561535358 | 0.059370167553425 | 0.044999998062849 | 0.044999998062849 | 0.06 | 0.055000003427267 | 0.084999993443489 | 0.020548159256577 | 0.016103887930512 | 0.02 | 0.022323910146952 | 0.032404493540525 | 31 | OMP (%): 100.00 |
○__kmp_launch_thread | libiomp5.so | 0.036702338606119 | 0.023848533630371 | 0.03 | 0.030949922278523 | 0.036702338606119 | 0.054999995976686 | 0.034999996423721 | 0.05 | 0.049999997019768 | 0.074999995529652 | 0.020054213702679 | 0.013044148683548 | 0.02 | 0.016894228756428 | 0.020054213702679 | 31 | OMP (%): 100.00 |
○unknown_function | libgromacs_mpi.so.7 | 0.036159940063953 | 0.032256226986647 | 0.04 | 0.037113737314939 | 0.04230472818017 | 0.074999995529652 | 0.03999999910593 | 0.07 | 0.064999990165234 | 0.12499999254942 | 0.019757846370339 | 0.01767785474658 | 0.02 | 0.020258719101548 | 0.023305736482143 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►void make_exclusions_zone | libgromacs_mpi.so.7 | 0.035979140549898 | 0.031580753624439 | 0.04 | 0.035372756421566 | 0.04065090790391 | 0.049999993294477 | 0.034999996423721 | 0.05 | 0.044999998062849 | 0.069999992847443 | 0.01965905725956 | 0.017298037186265 | 0.02 | 0.019269960001111 | 0.022234342992306 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3797 | libgromacs_mpi.so.7 | 0.0047007920220494 | 0.0099999997764826 | 0.0025685199070722 | ||||||||||||||
►loop 3801 | libgromacs_mpi.so.7 | 0.031278349459171 | 0.045000001788139 | 0.017090538516641 | ||||||||||||||
○loop 3802 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3800 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3798 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3799 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►quicksort | gmx_mpi | 0.035255942493677 | 0.027452312409878 | 0.03 | 0.032044544816017 | 0.035565279424191 | 0.035000000149012 | 0.029999997466803 | 0.04 | 0.03999999910593 | 0.055000007152557 | 0.019263900816441 | 0.014921867288649 | 0.02 | 0.017589837312698 | 0.019463146105409 | 31 | Exe (%): 100.00 |
►loop 80 | gmx_mpi | 0.0094015840440989 | 0.015000000596046 | 0.0051370398141444 | ||||||||||||||
○loop 81 | gmx_mpi | 0.015910372138023 | 0.024999998509884 | 0.0086934510618448 | ||||||||||||||
○kmp_flag_native | libiomp5.so | 0.034351944923401 | 0.031042693182826 | 0.03 | 0.034672558307648 | 0.039613038301468 | 0.16499997675419 | 0.12999999523163 | 0.17 | 0.1700000166893 | 0.21999998390675 | 0.018769953399897 | 0.016893530264497 | 0.02 | 0.018875645473599 | 0.021533461287618 | 31 | OMP (%): 100.00 |
○mkl_dft_avx512_ippsFFTInv_CCSToR_32f | libmkl_avx512.so.2 | 0.034351944923401 | 0.033270020037889 | 0.04 | 0.03665316849947 | 0.043209563940763 | 0.03999999538064 | 0.035000000149012 | 0.04 | 0.044999998062849 | 0.054999999701977 | 0.018769953399897 | 0.018084116280079 | 0.02 | 0.020054357126355 | 0.023596355691552 | 31 | Math (%): 100.00 |
○unknown_kernel_region | kernel | 0.033809542655945 | 0.026245959103107 | 0.03 | 0.033071432262659 | 0.038199990987778 | 0.099999994039536 | 0.070000000298023 | 0.11 | 0.10999999195337 | 0.15999999642372 | 0.018473584204912 | 0.014325157739222 | 0.02 | 0.017977476119995 | 0.020851654931903 | 31 | System (%): 97.36 OMP (%): 1.74 Math (%): 0.90 |
►int assignInteractionsForAtom | libgromacs_mpi.so.7 | 0.033267144113779 | 0.029144518077374 | 0.03 | 0.034491024911404 | 0.037318259477615 | 0.03999999538064 | 0.03999999538064 | 0.06 | 0.054999999701977 | 0.070000000298023 | 0.018177218735218 | 0.015898488461971 | 0.02 | 0.018767695873976 | 0.020812625065446 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3809 | libgromacs_mpi.so.7 | 0.016452772542834 | 0.024999998509884 | 0.0089898193255067 | ||||||||||||||
►loop 3812 | libgromacs_mpi.so.7 | 0.0074127870611846 | 0.01999999769032 | 0.0040503581985831 | ||||||||||||||
○loop 3813 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3811 | libgromacs_mpi.so.7 | 0.005423991009593 | 0.014999999664724 | 0.0029636770486832 | ||||||||||||||
○loop 3810 | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.0049999998882413 | 0.00019757846894208 | ||||||||||||||
○loop 3814 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►sum_forces(gmx::ArrayRef | libgromacs_mpi.so.7 | 0.030012749135494 | 0.025803534314036 | 0.03 | 0.031586520373821 | 0.035484351217747 | 0.044999998062849 | 0.034999996423721 | 0.05 | 0.044999998062849 | 0.064999997615814 | 0.016399011015892 | 0.01412249263376 | 0.02 | 0.01718725822866 | 0.019369309768081 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 13621 | libgromacs_mpi.so.7 | 0.028566353023052 | 0.03999999538064 | 0.015608698129654 | ||||||||||||||
○mkl_serv_verbose_mode | libmkl_core.so.2 | 0.029289551079273 | 0.024434151127934 | 0.03 | 0.028966598212719 | 0.033048119395971 | 0.03999999910593 | 0.029999999329448 | 0.04 | 0.03999999910593 | 0.050000000745058 | 0.016003854572773 | 0.013337549753487 | 0.02 | 0.015801472589374 | 0.018161851912737 | 31 | Math (%): 100.00 |
○compute_1d_small_fwd | libmkl_avx512.so.2 | 0.028927950188518 | 0.023804163560271 | 0.03 | 0.026888752356172 | 0.031685158610344 | 0.035000000149012 | 0.029999997466803 | 0.04 | 0.035000000149012 | 0.094999991357327 | 0.015806276351213 | 0.012939832173288 | 0.01 | 0.014811642467976 | 0.017287509515882 | 31 | Math (%): 100.00 |
○__kmp_join_barrier(int) | libiomp5.so | 0.028204752132297 | 0.021998211741447 | 0.03 | 0.026434475556016 | 0.029842777177691 | 0.040000002831221 | 0.025000000372529 | 0.04 | 0.035000000149012 | 0.054999995976686 | 0.015411118976772 | 0.011957257986069 | 0.01 | 0.014422722160816 | 0.016298430040479 | 31 | OMP (%): 100.00 |
○__kmp_barrier | libiomp5.so | 0.028023952618241 | 0.026543298736215 | 0.03 | 0.030023641884327 | 0.034725643694401 | 0.029999999329448 | 0.029999999329448 | 0.04 | 0.044999994337559 | 0.060000002384186 | 0.015312330797315 | 0.014427767135203 | 0.02 | 0.016397207975388 | 0.018968995660543 | 31 | OMP (%): 100.00 |
○compute_1d_small_bwd | libmkl_avx512.so.2 | 0.026396756991744 | 0.022077824920416 | 0.03 | 0.025595970451832 | 0.029144518077374 | 0.03999999538064 | 0.025000000372529 | 0.04 | 0.03999999538064 | 0.049999997019768 | 0.014423228800297 | 0.012052371166646 | 0.01 | 0.013934375718236 | 0.015898488461971 | 31 | Math (%): 100.00 |
○__kmpc_for_static_init_4 | libiomp5.so | 0.024227159097791 | 0.016882449388504 | 0.02 | 0.020349591970444 | 0.024227159097791 | 0.024999998509884 | 0.024999998509884 | 0.03 | 0.030000003054738 | 0.049999997019768 | 0.013237756676972 | 0.0091907596215606 | 0.01 | 0.011260617524385 | 0.013237756676972 | 31 | OMP (%): 100.00 |
►gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.024046359583735 | 0.019605912268162 | 0.03 | 0.025882098823786 | 0.030047098174691 | 0.034999996423721 | 0.024999998509884 | 0.04 | 0.035000000149012 | 0.07999999076128 | 0.01313896663487 | 0.010669599287212 | 0.01 | 0.01412792224437 | 0.016399834305048 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 15412 | libgromacs_mpi.so.7 | 0.01681437343359 | 0.029999999329448 | 0.0091873984783888 | ||||||||||||||
○mkl_dft_avx512_ippsDFTFwd_RToCCS_32f | libmkl_avx512.so.2 | 0.02386556006968 | 0.018099369481206 | 0.02 | 0.024799127131701 | 0.029693517833948 | 0.024999998509884 | 0.024999998509884 | 0.03 | 0.034999996423721 | 0.044999998062849 | 0.013040178455412 | 0.0098796663805842 | 0.01 | 0.01362138800323 | 0.016200864687562 | 31 | Math (%): 100.00 |
►calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) [clone .extracted] | libgromacs_mpi.so.7 | 0.02350396104157 | 0.016978923231363 | 0.02 | 0.021239737048745 | 0.028892077505589 | 0.034999996423721 | 0.019999999552965 | 0.03 | 0.030000003054738 | 0.049999997019768 | 0.012842600233853 | 0.0094692511484027 | 0.01 | 0.011564972810447 | 0.015705596655607 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 12782 | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00499999942258 | 9.8789234471042e-05 | ||||||||||||||
○loop 12783 | libgromacs_mpi.so.7 | 0.022057563066483 | 0.024999998509884 | 0.012052286416292 | ||||||||||||||
►loop 12784 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 12785 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○mkl_dft_avx512_ippsDFTInv_CCSToR_32f | libmkl_avx512.so.2 | 0.023142362013459 | 0.019185330718756 | 0.02 | 0.024540424346924 | 0.029810668900609 | 0.034999996423721 | 0.024999998509884 | 0.04 | 0.035000000149012 | 0.050000004470348 | 0.012645022012293 | 0.010472445748746 | 0.01 | 0.013431182131171 | 0.016305185854435 | 31 | Math (%): 100.00 |
○gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.022961562499404 | 0.020543785765767 | 0.02 | 0.024737512692809 | 0.028780054301023 | 0.03999999538064 | 0.024999996647239 | 0.03 | 0.035000000149012 | 0.050000000745058 | 0.012546232901514 | 0.011166696436703 | 0.01 | 0.013627932406962 | 0.015708277001977 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_invoke_microtask | libiomp5.so | 0.020611165091395 | 0.013991760089993 | 0.02 | 0.017514076083899 | 0.021203918382525 | 0.029999995604157 | 0.02000000141561 | 0.03 | 0.029999997466803 | 0.049999993294477 | 0.011261971667409 | 0.0076058548875153 | 0.01 | 0.0095846895128489 | 0.01164320949465 | 31 | OMP (%): 100.00 |
○energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) | libgromacs_mpi.so.7 | 0.020430373027921 | 0.017143834382296 | 0.02 | 0.020180178806186 | 0.022944934666157 | 0.56500017642975 | 0.47499990463257 | 0.56 | 0.55999976396561 | 0.63999992609024 | 0.011163186281919 | 0.0093903616070747 | 0.01 | 0.01105503551662 | 0.01264039799571 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►float (anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.019345568493009 | 0.014830742962658 | 0.02 | 0.018294498324394 | 0.021113988012075 | 0.064999997615814 | 0.044999998062849 | 0.06 | 0.059999998658895 | 0.090000003576279 | 0.010570447891951 | 0.0081013422459364 | 0.01 | 0.0099788382649422 | 0.011564972810447 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 14765 | libgromacs_mpi.so.7 | 0.018983969464898 | 0.064999997615814 | 0.010372869670391 | ||||||||||||||
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.30] | libgromacs_mpi.so.7 | 0.019345568493009 | 0.015895791351795 | 0.02 | 0.020092723891139 | 0.024361655116081 | 0.034999996423721 | 0.01999999769032 | 0.03 | 0.029999999329448 | 0.044999998062849 | 0.010570447891951 | 0.0086894975975156 | 0.01 | 0.010971717536449 | 0.013241921551526 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 15192 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15193 | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.0049999998882413 | 0.00019757846894208 | ||||||||||||||
○loop 15195 | libgromacs_mpi.so.7 | 0.016995171085 | 0.029999999329448 | 0.0092861875891685 | ||||||||||||||
○loop 15194 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.018622368574142 | 0.018622368574142 | 0.02 | 0.022449111565948 | 0.027129799127579 | 0.024999998509884 | 0.024999998509884 | 0.03 | 0.034999996423721 | 0.040000002831221 | 0.010175290517509 | 0.010175290517509 | 0.01 | 0.012246141210198 | 0.01481675542891 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 13420 | libgromacs_mpi.so.7 | 0.017718371003866 | 0.024999998509884 | 0.0096813449636102 | ||||||||||||||
○loop 13419 | libgromacs_mpi.so.7 | 0.00090399844339117 | 0.0049999998882413 | 0.00049394613597542 | ||||||||||||||
►Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.018260767683387 | 0.017155786976218 | 0.02 | 0.019649552181363 | 0.022705499082804 | 0.03999999538064 | 0.024999998509884 | 0.04 | 0.035000000149012 | 0.050000000745058 | 0.0099777113646269 | 0.0094798440113664 | 0.01 | 0.010766820050776 | 0.012443628162146 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 1701 | libgromacs_mpi.so.7 | 0.010124783031642 | 0.019999999552965 | 0.0055321967229247 | ||||||||||||||
►loop 1704 | libgromacs_mpi.so.7 | 0.0074127870611846 | 0.024999996647239 | 0.0040503581985831 | ||||||||||||||
○loop 1705 | libgromacs_mpi.so.7 | 0.0007231988129206 | 0.0049999998882413 | 0.00039515693788417 | ||||||||||||||
○loop 1706 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1703 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1702 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1700 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, int, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, gmx_localtop_t*, t_forcerec*, gmx::VirtualS... | libgromacs_mpi.so.7 | 0.017899170517921 | 0.014150317758322 | 0.02 | 0.017242487519979 | 0.021076358854771 | 0.49500000476837 | 0.38999995589256 | 0.48 | 0.47999978065491 | 0.57999974489212 | 0.0097801340743899 | 0.007707045879215 | 0.01 | 0.0094757433980703 | 0.011461477726698 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3976 | libgromacs_mpi.so.7 | 0.0047007920220494 | 0.12999999523163 | 0.0025685199070722 | ||||||||||||||
○loop 3977 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3904 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3950 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3981 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3996 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3999 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3998 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3982 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3987 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3993 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3985 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3992 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4000 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3995 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3988 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3984 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3997 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3994 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3990 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3991 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3989 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3983 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3986 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3947 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3942 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3943 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3944 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3916 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3877 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3878 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3879 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3880 | libgromacs_mpi.so.7 | 0.0007231988129206 | 0.019999999552965 | 0.00039515693788417 | ||||||||||||||
○loop 3909 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3951 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3965 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3952 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3961 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3958 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3959 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3953 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3960 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3957 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3962 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3956 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3955 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3954 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3963 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3964 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3948 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3946 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3980 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3905 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3949 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3914 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3910 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3911 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3913 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3912 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3966 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3918 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3919 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3920 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3921 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3922 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3937 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3933 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3935 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3934 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3926 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3927 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3928 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3929 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3930 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3931 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3932 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3923 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3925 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3924 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3938 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3939 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3940 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3941 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3936 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3917 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3906 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3907 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3974 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3969 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3968 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3908 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3973 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3915 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3971 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3970 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3967 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3979 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3875 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 3876 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3899 | libgromacs_mpi.so.7 | 0.0030735947657377 | 0.084999993443489 | 0.0016794168623164 | ||||||||||||||
○loop 3883 | libgromacs_mpi.so.7 | 0.0025311959907413 | 0.070000000298023 | 0.0013830492971465 | ||||||||||||||
○loop 3887 | libgromacs_mpi.so.7 | 0.0019887967500836 | 0.055000003427267 | 0.0010866816155612 | ||||||||||||||
○loop 3895 | libgromacs_mpi.so.7 | 0.0019887965172529 | 0.054999995976686 | 0.0010866813827306 | ||||||||||||||
○loop 3902 | libgromacs_mpi.so.7 | 0.001807997119613 | 0.050000004470348 | 0.00098789238836616 | ||||||||||||||
○loop 3898 | libgromacs_mpi.so.7 | 0.0007231988129206 | 0.019999999552965 | 0.00039515693788417 | ||||||||||||||
○loop 3894 | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.0099999997764826 | 0.00019757846894208 | ||||||||||||||
○loop 3882 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3891 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3884 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3900 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3890 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3889 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3881 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3888 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3893 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3896 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3885 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3901 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3903 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3892 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3897 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3886 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3972 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3978 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3975 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3945 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.017718371003866 | 0.016609165817499 | 0.02 | 0.019936636090279 | 0.027880350127816 | 0.019999999552965 | 0.019999999552965 | 0.03 | 0.029999999329448 | 0.040000002831221 | 0.0096813449636102 | 0.0090893879532814 | 0.01 | 0.010868913494051 | 0.015208917669952 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 14913 | libgromacs_mpi.so.7 | 0.0030735947657377 | 0.0099999997764826 | 0.0016794168623164 | ||||||||||||||
►loop 14915 | libgromacs_mpi.so.7 | 0.0056047909893095 | 0.014999999664724 | 0.0030624663922936 | ||||||||||||||
○loop 14914 | libgromacs_mpi.so.7 | 0.0068703889846802 | 0.014999999664724 | 0.0037539910990745 | ||||||||||||||
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) | libgromacs_mpi.so.7 | 0.016271974891424 | 0.015626009553671 | 0.02 | 0.017562627792358 | 0.019281653687358 | 0.45000004768372 | 0.43499991297722 | 0.48 | 0.48499998450279 | 0.5349999666214 | 0.0088910320773721 | 0.0085873957723379 | 0.01 | 0.0095858322456479 | 0.010567208752036 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 14921 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 14924 | libgromacs_mpi.so.7 | 0.0074127870611846 | 0.20499999821186 | 0.0040503581985831 | ||||||||||||||
○loop 14925 | libgromacs_mpi.so.7 | 0.0088591855019331 | 0.24500000476837 | 0.0048406724818051 | ||||||||||||||
○loop 14926 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 14922 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 14923 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 14929 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 14930 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 14931 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 14928 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 14932 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 14933 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 14918 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 14919 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 14917 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 14920 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 14927 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►gmx::lincs_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.016091173514724 | 0.0077741052955389 | 0.01 | 0.012129854410887 | 0.016091173514724 | 0.03999999538064 | 0.014999999664724 | 0.02 | 0.02000000141561 | 0.03999999538064 | 0.0087922411039472 | 0.0042453692294657 | 0.01 | 0.0066211414523423 | 0.0087922411039472 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 13348 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13347 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.014463975094259 | 0.008625322021544 | 0.01 | 0.012854025699198 | 0.01502247620374 | 0.029999997466803 | 0.015000000596046 | 0.03 | 0.025000000372529 | 0.035000000149012 | 0.0079031381756067 | 0.0047362199984491 | 0.01 | 0.0070164338685572 | 0.008200122974813 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1693 | libgromacs_mpi.so.7 | 0.0016271972563118 | 0.0049999998882413 | 0.00088910310296342 | ||||||||||||||
○loop 1696 | libgromacs_mpi.so.7 | 0.0074127870611846 | 0.024999998509884 | 0.0040503581985831 | ||||||||||||||
○loop 1694 | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00499999942258 | 9.8789234471042e-05 | ||||||||||||||
○loop 1695 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1688 | libgromacs_mpi.so.7 | 0.00054239912424237 | 0.0049999998882413 | 0.00029636771068908 | ||||||||||||||
○loop 1679 | libgromacs_mpi.so.7 | 0.00054239912424237 | 0.00499999942258 | 0.00029636771068908 | ||||||||||||||
○loop 1682 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1689 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1687 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1685 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1691 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1690 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1680 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1678 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1684 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1686 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1692 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1683 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1681 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○void __kmp_dispatch_deo | libiomp5.so | 0.013921577483416 | 0.0063352310098708 | 0.01 | 0.013745764270425 | 0.015080502256751 | 0.0099999997764826 | 0.00999999884516 | 0.01 | 0.0099999997764826 | 0.010000000707805 | 0.0076067708432674 | 0.0034577962942421 | 0.01 | 0.0075071551837027 | 0.0082008866593242 | 31 | OMP (%): 100.00 |
○__kmp_invoke_task_func | libiomp5.so | 0.01374077796936 | 0.0092306789010763 | 0.01 | 0.012039511464536 | 0.015740875154734 | 0.050000004470348 | 0.014999999664724 | 0.03 | 0.024999998509884 | 0.050000004470348 | 0.007507982198149 | 0.0050386297516525 | 0.01 | 0.0066109742037952 | 0.0087787844240665 | 31 | OMP (%): 100.00 |
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted] | libgromacs_mpi.so.7 | 0.01374077796936 | 0.0099777895957232 | 0.01 | 0.014272985979915 | 0.01833470351994 | 0.024999998509884 | 0.019999999552965 | 0.03 | 0.025000000372529 | 0.040000002831221 | 0.007507982198149 | 0.0054344567470253 | 0.01 | 0.0078067248687148 | 0.0099813621491194 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 14934 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 14936 | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00499999942258 | 9.8789234471042e-05 | ||||||||||||||
►loop 14938 | libgromacs_mpi.so.7 | 0.0030735947657377 | 0.00999999884516 | 0.0016794168623164 | ||||||||||||||
○loop 14939 | libgromacs_mpi.so.7 | 0.0099439835175872 | 0.01999999769032 | 0.0054334076121449 | ||||||||||||||
○loop 14940 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 14935 | libgromacs_mpi.so.7 | 0.00054239912424237 | 0.0049999998882413 | 0.00029636771068908 | ||||||||||||||
○loop 14937 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.01374077796936 | 0.0085073113441467 | 0.01 | 0.01374077796936 | 0.018149115145206 | 0.029999995604157 | 0.015000000596046 | 0.02 | 0.02000000141561 | 0.034999996423721 | 0.007507982198149 | 0.0046433270908892 | 0.01 | 0.007507982198149 | 0.0099657969549298 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 15413 | libgromacs_mpi.so.7 | 0.010486382991076 | 0.024999998509884 | 0.0057297754101455 | ||||||||||||||
►std::vector | libgromacs_mpi.so.7 | 0.013559977523983 | 0.010316641069949 | 0.01 | 0.014353730715811 | 0.018656766042113 | 0.029999997466803 | 0.019999999552965 | 0.03 | 0.025000000372529 | 0.045000001788139 | 0.0074091926217079 | 0.0056314100511372 | 0.01 | 0.007805663626641 | 0.010176438838243 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 3230 | libgromacs_mpi.so.7 | 0.013198378495872 | 0.029999997466803 | 0.0072116144001484 | ||||||||||||||
○loop 3234 | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00499999942258 | 0.00019757846894208 | ||||||||||||||
○loop 3233 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3232 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3229 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3228 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3227 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3231 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted.52] | libgromacs_mpi.so.7 | 0.013379177078605 | 0.011379941366613 | 0.01 | 0.013802813366055 | 0.018789753317833 | 0.024999996647239 | 0.01999999769032 | 0.02 | 0.024999998509884 | 0.035000000149012 | 0.0073104021139443 | 0.0062208897434175 | 0.01 | 0.0076039899140596 | 0.010277207009494 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 13365 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13366 | libgromacs_mpi.so.7 | 0.013379177078605 | 0.024999996647239 | 0.0073104021139443 | ||||||||||||||
►void std::vector | libgromacs_mpi.so.7 | 0.013379177078605 | 0.0095543693751097 | 0.01 | 0.013433679006994 | 0.017262563109398 | 0.019999999552965 | 0.01999999769032 | 0.02 | 0.024999998509884 | 0.035000003874302 | 0.0073104021139443 | 0.0052352426573634 | 0.01 | 0.0073145986534655 | 0.0093838479369879 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 3832 | libgromacs_mpi.so.7 | 0.0016271972563118 | 0.00999999884516 | 0.00088910310296342 | ||||||||||||||
○loop 3835 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3831 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3830 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3834 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3833 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○std::vector | libgromacs_mpi.so.7 | 0.013198378495872 | 0.010095182806253 | 0.01 | 0.012707535177469 | 0.015024813823402 | 0.029999997466803 | 0.01999999769032 | 0.03 | 0.034999996423721 | 0.049999997019768 | 0.0072116144001484 | 0.0055315773934126 | 0.01 | 0.006915838457644 | 0.0081961154937744 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►set_pbc_simd(t_pbc const*, float*) | libgromacs_mpi.so.7 | 0.012655979022384 | 0.0063355430029333 | 0.01 | 0.010275454260409 | 0.017624201253057 | 0.024999998509884 | 0.014999998733401 | 0.02 | 0.019999999552965 | 0.025000002235174 | 0.0069152466021478 | 0.0034595499746501 | 0.01 | 0.0056303557939827 | 0.0095841689035296 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 4851 | libgromacs_mpi.so.7 | 0.0019887965172529 | 0.0049999998882413 | 0.0010866813827306 | ||||||||||||||
○loop 4850 | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00499999942258 | 9.8789234471042e-05 | ||||||||||||||
►gmx::ThreadedForceBuffer | libgromacs_mpi.so.7 | 0.012294379994273 | 0.0092239994555712 | 0.01 | 0.011651726439595 | 0.014118516817689 | 0.34000000357628 | 0.25499999523163 | 0.33 | 0.32499998807907 | 0.38999998569489 | 0.0067176683805883 | 0.0050386399962008 | 0.01 | 0.0064189531840384 | 0.0077059473842382 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 4538 | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.0049999998882413 | 9.8789234471042e-05 | ||||||||||||||
○loop 4541 | libgromacs_mpi.so.7 | 0.012113579548895 | 0.33500000834465 | 0.006618878338486 | ||||||||||||||
○loop 4540 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4539 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4542 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4543 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) | libgromacs_mpi.so.7 | 0.011751979589462 | 0.010596950538456 | 0.01 | 0.013031545095146 | 0.016277644783258 | 0.32499995827675 | 0.29499998688698 | 0.36 | 0.35999995470047 | 0.45000001788139 | 0.0064212996512651 | 0.005823636893183 | 0.01 | 0.0071133594028652 | 0.0088917165994644 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 15167 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 15168 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 15170 | libgromacs_mpi.so.7 | 0.011751979589462 | 0.32499995827675 | 0.0064212996512651 | ||||||||||||||
○loop 15169 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○__libm_erfcf_ex | gmx_mpi | 0.011028782464564 | 0.0070612621493638 | 0.01 | 0.011028782464564 | 0.014115330763161 | 0.30500000715256 | 0.19499996304512 | 0.30 | 0.30500000715256 | 0.38999998569489 | 0.0060261432081461 | 0.0038526440039277 | 0.01 | 0.0060261432081461 | 0.0077056139707565 | 31 | Math (%): 100.00 |
►int make_bondeds_zone | libgromacs_mpi.so.7 | 0.011028781533241 | 0.0099043725058436 | 0.01 | 0.013547549955547 | 0.016657339408994 | 0.024999998509884 | 0.014999999664724 | 0.02 | 0.024999998509884 | 0.035000000149012 | 0.0060261432081461 | 0.0055237300693989 | 0.01 | 0.0074058212339878 | 0.0090882889926434 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3793 | libgromacs_mpi.so.7 | 0.0095823844894767 | 0.024999998509884 | 0.0052358293905854 | ||||||||||||||
○loop 3794 | libgromacs_mpi.so.7 | 0.0014463976258412 | 0.00999999884516 | 0.00079031387576833 | ||||||||||||||
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, ... | libgromacs_mpi.so.7 | 0.011028781533241 | 0.0076037896797061 | 0.01 | 0.0095506440848112 | 0.011549532413483 | 0.03999999538064 | 0.024999998509884 | 0.04 | 0.035000000149012 | 0.059999994933605 | 0.0060261432081461 | 0.0041505666449666 | 0.01 | 0.0053264535963535 | 0.0063261389732361 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 14818 | libgromacs_mpi.so.7 | 0.011028781533241 | 0.03999999538064 | 0.0060261432081461 | ||||||||||||||
○__nss_database_lookup | libc.so.6 | 0.010667183436453 | 0.0095857242122293 | 0.01 | 0.011472468264401 | 0.013757662847638 | 0.2950000166893 | 0.26499998569489 | 0.31 | 0.31499999761581 | 0.38000002503395 | 0.0058285649865866 | 0.0052362331189215 | 0.01 | 0.0063201994635165 | 0.0075048781000078 | 31 | Others (%): 100.00 |
►nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) [clone .extracted] | libgromacs_mpi.so.7 | 0.010667181573808 | 0.006109603215009 | 0.01 | 0.0083108525723219 | 0.011405597440898 | 0.015000000596046 | 0.0099999997764826 | 0.02 | 0.014999999664724 | 0.024999998509884 | 0.0058285645209253 | 0.0033548227511346 | 0.00 | 0.0045456881634891 | 0.0062218299135566 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1610 | libgromacs_mpi.so.7 | 0.0010847982484847 | 0.0049999998882413 | 0.00059273542137817 | ||||||||||||||
►loop 1611 | libgromacs_mpi.so.7 | 0.0027119955047965 | 0.0049999998882413 | 0.0014818385243416 | ||||||||||||||
○loop 1612 | libgromacs_mpi.so.7 | 0.0052431914955378 | 0.0099999997764826 | 0.0028648877050728 | ||||||||||||||
○__kmp_finish_implicit_task | libiomp5.so | 0.010486382991076 | 0.0070417420938611 | 0.01 | 0.0115866381675 | 0.01689125597477 | 0.015000000596046 | 0.014999999664724 | 0.02 | 0.02000000141561 | 0.034999996423721 | 0.0057297754101455 | 0.0038536381907761 | 0.01 | 0.0063205887563527 | 0.0092750983312726 | 31 | OMP (%): 100.00 |
○__kmpc_barrier | libiomp5.so | 0.010486382991076 | 0.0065000695176423 | 0.01 | 0.0092026591300964 | 0.011315387673676 | 0.029999995604157 | 0.014999997802079 | 0.02 | 0.01999999769032 | 0.029999997466803 | 0.0057297754101455 | 0.0035572045017034 | 0.00 | 0.0050366930663586 | 0.006218459457159 | 31 | OMP (%): 100.00 |
►gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.010124783031642 | 0.0066991476342082 | 0.01 | 0.011224642395973 | 0.014885969460011 | 0.019999999552965 | 0.014999999664724 | 0.02 | 0.019999999552965 | 0.030000001192093 | 0.0055321967229247 | 0.0036550730001181 | 0.01 | 0.0061283460818231 | 0.0081009911373258 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 13351 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13352 | libgromacs_mpi.so.7 | 0.0036159937735647 | 0.0099999997764826 | 0.0019757845439017 | ||||||||||||||
○loop 13361 | libgromacs_mpi.so.7 | 0.0028927952516824 | 0.0099999997764826 | 0.0015806277515367 | ||||||||||||||
○loop 13362 | libgromacs_mpi.so.7 | 0.0014463976258412 | 0.0099999997764826 | 0.00079031387576833 | ||||||||||||||
○loop 13359 | libgromacs_mpi.so.7 | 0.0014463976258412 | 0.0099999997764826 | 0.00079031387576833 | ||||||||||||||
○loop 13360 | libgromacs_mpi.so.7 | 0.0007231988129206 | 0.00999999884516 | 0.00039515693788417 | ||||||||||||||
►loop 13357 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13358 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13353 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13354 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13355 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13356 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone .extracted] | libgromacs_mpi.so.7 | 0.010124783031642 | 0.0066806268878281 | 0.01 | 0.0088461861014366 | 0.012310802936554 | 0.014999999664724 | 0.014999998733401 | 0.02 | 0.015000001527369 | 0.025000000372529 | 0.0055321967229247 | 0.0036560157313943 | 0.00 | 0.0048391758464277 | 0.0067156250588596 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 4076 | libgromacs_mpi.so.7 | 0.0041583930142224 | 0.0099999997764826 | 0.0022721523419023 | ||||||||||||||
►loop 4078 | libgromacs_mpi.so.7 | 0.005423991009593 | 0.0099999997764826 | 0.0029636770486832 | ||||||||||||||
○loop 4080 | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.0049999998882413 | 0.00019757846894208 | ||||||||||||||
○loop 4079 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4081 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4077 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4082 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 4083 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4084 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 4085 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4086 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4087 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 4088 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○mkl_serv_verbose_mode@plt | libmkl_intel_lp64.so.2 | 0.0099439835175872 | 0.0051984619349241 | 0.01 | 0.0077268509194255 | 0.0099991876631975 | 0.01999999769032 | 0.0099999997764826 | 0.02 | 0.014999999664724 | 0.029999999329448 | 0.0054334076121449 | 0.002863840200007 | 0.00 | 0.00424286397174 | 0.0054351175203919 | 31 | Math (%): 100.00 |
►atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0097631840035319 | 0.0085080275312066 | 0.01 | 0.0097034899517894 | 0.012298664078116 | 0.26999998092651 | 0.23499999940395 | 0.28 | 0.26999998092651 | 0.33999991416931 | 0.0053346185013652 | 0.0046411738730967 | 0.01 | 0.0053282491862774 | 0.0067181857302785 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 3645 | libgromacs_mpi.so.7 | 0.0047007920220494 | 0.12999999523163 | 0.0025685199070722 | ||||||||||||||
►loop 3647 | libgromacs_mpi.so.7 | 0.0050623915158212 | 0.13999998569489 | 0.0027660983614624 | ||||||||||||||
○loop 3648 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 3646 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0092207845300436 | 0.00812076497823 | 0.01 | 0.0097501054406166 | 0.012707220390439 | 0.019999999552965 | 0.014999998733401 | 0.02 | 0.019999999552965 | 0.034999996423721 | 0.0050382507033646 | 0.0044480664655566 | 0.01 | 0.0053358073346317 | 0.0069177760742605 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 13367 | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.0049999998882413 | 9.8789234471042e-05 | ||||||||||||||
►loop 13368 | libgromacs_mpi.so.7 | 0.0012655978789553 | 0.00999999884516 | 0.00069152459036559 | ||||||||||||||
►loop 13369 | libgromacs_mpi.so.7 | 0.0074127879925072 | 0.01999999769032 | 0.0040503586642444 | ||||||||||||||
○loop 13370 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○mkl_dft_avx512_transfer_ipp_mkl_error | libmkl_avx512.so.2 | 0.0092207845300436 | 0.0045139375142753 | 0.01 | 0.007030573207885 | 0.010135646909475 | 0.019999999552965 | 0.0099999997764826 | 0.02 | 0.015000000596046 | 0.024999998509884 | 0.0050382507033646 | 0.0024702809751034 | 0.00 | 0.0038523480761796 | 0.0055326130241156 | 31 | Math (%): 100.00 |
►gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted] | libgromacs_mpi.so.7 | 0.0092207845300436 | 0.0043390356004238 | 0.01 | 0.0081091076135635 | 0.01194872148335 | 0.01999999769032 | 0.0099999997764826 | 0.02 | 0.01999999769032 | 0.029999995604157 | 0.0050382507033646 | 0.0023695083800703 | 0.00 | 0.0044441535137594 | 0.0065181078389287 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 13363 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13364 | libgromacs_mpi.so.7 | 0.0092207845300436 | 0.01999999769032 | 0.0050382507033646 | ||||||||||||||
►globalAtomIndexToMoltypeIndices(gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0088591855019331 | 0.0059906952083111 | 0.01 | 0.0083504589274526 | 0.01030932366848 | 0.014999999664724 | 0.014999998733401 | 0.02 | 0.015000000596046 | 0.025000000372529 | 0.0048406724818051 | 0.0032601552084088 | 0.00 | 0.0045459670946002 | 0.0056303669698536 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 4089 | libgromacs_mpi.so.7 | 0.0034351944923401 | 0.00999999884516 | 0.0018769955495372 | ||||||||||||||
○__libm_exp_l9 | gmx_mpi | 0.0088591845706105 | 0.0057853800244629 | 0.01 | 0.0085006710141897 | 0.010417343117297 | 0.24499998986721 | 0.15999998152256 | 0.23 | 0.23500004410744 | 0.29000002145767 | 0.0048406720161438 | 0.0031593441963196 | 0.00 | 0.0046425834298134 | 0.0057249320670962 | 31 | Math (%): 100.00 |
○mm_account_ptr_by_tid | libmkl_core.so.2 | 0.0084975855425 | 0.0072612683288753 | 0.01 | 0.0092239985242486 | 0.010522033087909 | 0.0049999998882413 | 0.0049999998882413 | 0.01 | 0.0099999997764826 | 0.010000000707805 | 0.0046430937945843 | 0.0039530145004392 | 0.01 | 0.0050386395305395 | 0.0057308813557029 | 31 | Math (%): 100.00 |
►nbnxn_kernel_cpu(PairlistSet const&, Nbnxm::KernelSetup const&, nbnxn_atomdata_t*, interaction_const_t const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0075935875065625 | 0.0061381696723402 | 0.01 | 0.0084862019866705 | 0.012307572178543 | 0.024999998509884 | 0.0099999997764826 | 0.02 | 0.019999999552965 | 0.034999996423721 | 0.0041491477750242 | 0.0033591215033084 | 0.00 | 0.0046432516537607 | 0.006718173623085 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1761 | libgromacs_mpi.so.7 | 0.0052431914955378 | 0.024999998509884 | 0.0028648877050728 | ||||||||||||||
►loop 1764 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 1763 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1762 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 1767 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 1766 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 1765 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►gmx::ThreadForceBuffer | libgromacs_mpi.so.7 | 0.0072319875471294 | 0.0050691547803581 | 0.01 | 0.0068766991607845 | 0.0086900452151895 | 0.0099999997764826 | 0.0099999997764826 | 0.02 | 0.015000000596046 | 0.024999998509884 | 0.0039515690878034 | 0.0027652580756694 | 0.00 | 0.0037540169432759 | 0.0047445259988308 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 4523 | libgromacs_mpi.so.7 | 0.0072319875471294 | 0.0099999997764826 | 0.0039515690878034 | ||||||||||||||
○loop 4522 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○__kmpc_for_static_fini | libiomp5.so | 0.0070511880330741 | 0.0055569768883288 | 0.01 | 0.0068982047960162 | 0.010174795985222 | 0.015000000596046 | 0.010000000707805 | 0.02 | 0.014999999664724 | 0.029999997466803 | 0.003852779744193 | 0.0030613467097282 | 0.00 | 0.0037553636357188 | 0.0055331280454993 | 31 | OMP (%): 100.00 |
►Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData*, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0068703889846802 | 0.0043407054618001 | 0.01 | 0.0059299096465111 | 0.0092719737440348 | 0.024999996647239 | 0.0099999997764826 | 0.02 | 0.015000000596046 | 0.029999999329448 | 0.0037539910990745 | 0.0023711244575679 | 0.00 | 0.0032561519183218 | 0.0050398362800479 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
►loop 1697 | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.0049999998882413 | 9.8789234471042e-05 | ||||||||||||||
○loop 1699 | libgromacs_mpi.so.7 | 0.0065087890252471 | 0.024999996647239 | 0.0035564124118537 | ||||||||||||||
○loop 1698 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○(anonymous namespace)::calc_one_bond(int, int, InteractionDefinitions const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0066895885393023 | 0.0030772637110204 | 0.01 | 0.0065111513249576 | 0.0079624941572547 | 0.015000000596046 | 0.0099999997764826 | 0.01 | 0.014999999664724 | 0.019999999552965 | 0.0036552010569721 | 0.0016803528415039 | 0.00 | 0.003556020790711 | 0.0043467571958899 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_fork_barrier(int, int) | libiomp5.so | 0.0066895885393023 | 0.0038014589808881 | 0.01 | 0.0050642294809222 | 0.0072423215024173 | 0.014999999664724 | 0.00999999884516 | 0.01 | 0.014999999664724 | 0.025000000372529 | 0.0036552010569721 | 0.0020737161394209 | 0.00 | 0.0027657945174724 | 0.0039514303207397 | 31 | OMP (%): 100.00 |
○__libm_cos_l9 | gmx_mpi | 0.0066895885393023 | 0.0036307242698967 | 0.01 | 0.0056238449178636 | 0.0079445289447904 | 0.014999998733401 | 0.00999999884516 | 0.01 | 0.014999998733401 | 0.024999998509884 | 0.0036552010569721 | 0.0019755470566452 | 0.00 | 0.0030642235651612 | 0.0043476936407387 | 31 | Math (%): 100.00 |
○__sched_yield | libc.so.6 | 0.0065087890252471 | 0.0037896900903434 | 0.01 | 0.0059743607416749 | 0.0083504589274526 | 0.019999999552965 | 0.0099999997764826 | 0.02 | 0.014999998733401 | 0.024999998509884 | 0.0035564124118537 | 0.0020757643505931 | 0.00 | 0.0032602082937956 | 0.0045459670946002 | 31 | System (%): 100.00 |
►gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0065087885595858 | 0.0054507832974195 | 0.01 | 0.0070642130449414 | 0.0086497124284506 | 0.17999996244907 | 0.14999996125698 | 0.19 | 0.19499997794628 | 0.24000003933907 | 0.0035564119461924 | 0.0029641757719219 | 0.00 | 0.0038523161783814 | 0.0047404291108251 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 13287 | libgromacs_mpi.so.7 | 0.0016271972563118 | 0.044999998062849 | 0.00088910310296342 | ||||||||||||||
○loop 13282 | libgromacs_mpi.so.7 | 0.0012655978789553 | 0.034999996423721 | 0.00069152459036559 | ||||||||||||||
○loop 13293 | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.0099999997764826 | 0.00019757846894208 | ||||||||||||||
○loop 13307 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13310 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13309 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13292 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13306 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13294 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13296 | libgromacs_mpi.so.7 | 0.0019887965172529 | 0.054999995976686 | 0.0010866813827306 | ||||||||||||||
►loop 13297 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13299 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13298 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13301 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13300 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13302 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13303 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13304 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13295 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13281 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13308 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13305 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13311 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13278 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13280 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13279 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13289 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13283 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13285 | libgromacs_mpi.so.7 | 0.0012655978789553 | 0.034999996423721 | 0.00069152459036559 | ||||||||||||||
○loop 13284 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13291 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13290 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13286 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►loop 13276 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13277 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13312 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○loop 13288 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
○void do_dih_fup<(BondedKernelFlavor)0>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int) | libgromacs_mpi.so.7 | 0.0061471895314753 | 0.0048654642887414 | 0.01 | 0.0072253593243659 | 0.0089628668501973 | 0.019999999552965 | 0.01999999769032 | 0.03 | 0.029999999329448 | 0.049999993294477 | 0.0033588337246329 | 0.0026664917822927 | 0.00 | 0.003951866645366 | 0.004937656223774 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0059663900174201 | 0.0041660736314952 | 0.01 | 0.0059663900174201 | 0.013810048811138 | 0.019999999552965 | 0.00999999884516 | 0.02 | 0.014999999664724 | 0.029999997466803 | 0.0032600446138531 | 0.0022724084556103 | 0.00 | 0.0032600446138531 | 0.0075070774182677 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_intel_fast_memcpy | gmx_mpi | 0.0057855905033648 | 0.0033604116179049 | 0.01 | 0.0056067439727485 | 0.0074501582421362 | 0.014999998733401 | 0.00999999884516 | 0.01 | 0.014999999664724 | 0.024999998509884 | 0.0031612555030733 | 0.0018741224193946 | 0.00 | 0.0030627022497356 | 0.0040498711168766 | 31 | Memory (%): 100.00 |
○PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0057855905033648 | 0.0030675530433655 | 0.00 | 0.0048814150504768 | 0.00686030741781 | 0.15999999642372 | 0.084999993443489 | 0.14 | 0.13499999046326 | 0.18999999761581 | 0.0031612555030733 | 0.0016788977663964 | 0.00 | 0.0026656971313059 | 0.0037543124053627 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_dl_deallocate_tls | ld-linux-x86-64.so.2 | 0.0056047909893095 | 0.0043443725444376 | 0.01 | 0.0072317253798246 | 0.0090431356802583 | 0.014999999664724 | 0.0099999997764826 | 0.02 | 0.01999999769032 | 0.025000000372529 | 0.0030624663922936 | 0.0023722629994154 | 0.00 | 0.0039491807110608 | 0.0049398425035179 | 31 | OMP (%): 99.75 System (%): 0.25 |
○__kmpc_for_static_init_8 | libiomp5.so | 0.005423991009593 | 0.0025293901562691 | 0.00 | 0.0049057058058679 | 0.0083091631531715 | 0.014999999664724 | 0.0049999998882413 | 0.01 | 0.014999998733401 | 0.01999999769032 | 0.0029636770486832 | 0.0013834703713655 | 0.00 | 0.0026677586138248 | 0.0045422366820276 | 31 | OMP (%): 100.00 |
►Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const*, gmx::Range | libgromacs_mpi.so.7 | 0.0052431914955378 | 0.0042447308078408 | 0.01 | 0.0057909050956368 | 0.0072177723050117 | 0.0099999997764826 | 0.00999999884516 | 0.01 | 0.014999998733401 | 0.019999999552965 | 0.0028648877050728 | 0.0023673127871007 | 0.00 | 0.0031599481590092 | 0.003950348123908 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 1709 | libgromacs_mpi.so.7 | 0.0052431914955378 | 0.0099999997764826 | 0.0028648877050728 | ||||||||||||||
○loop 1710 | libgromacs_mpi.so.7 | 0 | 0 | 0 | ||||||||||||||
►gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding | libgromacs_mpi.so.7 | 0.004881592001766 | 0.0027230430860072 | 0.00 | 0.0048885671421885 | 0.0076051424257457 | 0.014999999664724 | 0.00999999884516 | 0.01 | 0.010000000707805 | 0.024999994784594 | 0.0026673092506826 | 0.0014818886993453 | 0.00 | 0.0026673092506826 | 0.0042414353229105 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○loop 12829 | libgromacs_mpi.so.7 | 0.0036159937735647 | 0.0099999997764826 | 0.0019757845439017 | ||||||||||||||
○__tls_get_addr | ld-linux-x86-64.so.2 | 0.004881592001766 | 0.0027129796799272 | 0.01 | 0.0054081338457763 | 0.0079579595476389 | 0.014999998733401 | 0.00999999884516 | 0.01 | 0.014999998733401 | 0.024999998509884 | 0.0026673092506826 | 0.0014816754264757 | 0.00 | 0.0029633450321853 | 0.0043470612727106 | 31 | System (%): 93.03 OMP (%): 6.97 |
○gmx_pme_do(gmx_pme_t*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.004881592001766 | 0.0027152327820659 | 0.00 | 0.0041582426056266 | 0.0059621334075928 | 0.0099999997764826 | 0.00999999884516 | 0.01 | 0.0099999997764826 | 0.02000000141561 | 0.0026673092506826 | 0.0014826643746346 | 0.00 | 0.0022723276633769 | 0.003261037170887 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&) | libgromacs_mpi.so.7 | 0.0045199925079942 | 0.0038002817891538 | 0.01 | 0.005233381409198 | 0.0068251565098763 | 0.125 | 0.10500000417233 | 0.15 | 0.14499999582767 | 0.1900000423193 | 0.0024697307962924 | 0.0020745887886733 | 0.00 | 0.0028635850176215 | 0.0037508180830628 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ThreadedForceBuffer | libgromacs_mpi.so.7 | 0.0045199920423329 | 0.0034415391273797 | 0.00 | 0.0047006215900183 | 0.0063537675887346 | 0.12499999254942 | 0.094999983906746 | 0.13 | 0.12999999523163 | 0.17499998211861 | 0.0024697305634618 | 0.001877207076177 | 0.00 | 0.0025682321283966 | 0.0034577404148877 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○parse_printf_format | libc.so.6 | 0.0043391920626163 | 0.003982906229794 | 0.01 | 0.0052644186653197 | 0.0064959954470396 | 0.11999998241663 | 0.10999996960163 | 0.15 | 0.14499998092651 | 0.18000002205372 | 0.0023709409870207 | 0.0021727019920945 | 0.00 | 0.0028645428828895 | 0.003555313218385 | 31 | IO (%): 100.00 |
○__kmp_get_global_thread_id_reg | libiomp5.so | 0.0039775930345058 | 0.00090765854110941 | 0.00 | 0.0019916384480894 | 0.0039775930345058 | 0.0099999997764826 | 0.0049999998882413 | 0.01 | 0.0099999997764826 | 0.01999999769032 | 0.0021733627654612 | 0.0004941268125549 | 0.00 | 0.0010870235273615 | 0.0021733627654612 | 31 | OMP (%): 100.00 |
○gmx::ListOfLists | libgromacs_mpi.so.7 | 0.0036159937735647 | 0.001627764548175 | 0.00 | 0.0032344956416637 | 0.0049014780670404 | 0.00999999884516 | 0.0049999998882413 | 0.01 | 0.0099999997764826 | 0.019999999552965 | 0.0019757845439017 | 0.00088917172979563 | 0.00 | 0.0017760825576261 | 0.002667399821803 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○make_dd_indices(gmx_domdec_t*, int) | libgromacs_mpi.so.7 | 0.0036159935407341 | 0.0026941404212266 | 0.00 | 0.0043390351347625 | 0.0054424307309091 | 0.099999986588955 | 0.075000002980232 | 0.12 | 0.11999999731779 | 0.15000000596046 | 0.001975784311071 | 0.0014805858954787 | 0.00 | 0.0023711202666163 | 0.0029645792674273 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__libm_expf_l9 | gmx_mpi | 0.0034351940266788 | 0.0028907314408571 | 0.00 | 0.0041639800183475 | 0.0063598905690014 | 0.094999991357327 | 0.079999998211861 | 0.11 | 0.11499999463558 | 0.17499996721745 | 0.0018769952002913 | 0.0015811088960618 | 0.00 | 0.0022725351154804 | 0.0034572067670524 | 31 | Math (%): 100.00 |
○gmx_parallel_3dfft_complex_limits(gmx_parallel_3dfft*, int*, int*, int*, int*) | libgromacs_mpi.so.7 | 0.0032543945126235 | 0.00072721362812445 | 0.00 | 0.002172494539991 | 0.0032543945126235 | 0.014999999664724 | 0.00499999942258 | 0.01 | 0.0099999997764826 | 0.015000000596046 | 0.0017782062059268 | 0.00039528126944788 | 0.00 | 0.0011851103045046 | 0.0017783585935831 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○clearRVecs(gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0032543945126235 | 0.0014484643470496 | 0.00 | 0.0032582795247436 | 0.0049086920917034 | 0.014999999664724 | 0.0049999998882413 | 0.01 | 0.0099999997764826 | 0.024999996647239 | 0.0017782062059268 | 0.00079028611071408 | 0.00 | 0.0017791973659769 | 0.002668148605153 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::ThreadForceBuffer | libgromacs_mpi.so.7 | 0.0032543945126235 | 0.0016224400606006 | 0.00 | 0.0028751073405147 | 0.0038121659308672 | 0.00999999884516 | 0.0049999998882413 | 0.01 | 0.0099999997764826 | 0.019999999552965 | 0.0017782062059268 | 0.00088900356786326 | 0.00 | 0.0015787400770932 | 0.0020757301244885 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0030735949985683 | 0.0012614165898412 | 0.00 | 0.0027253921143711 | 0.0039937966503203 | 0.08500000089407 | 0.034999996423721 | 0.08 | 0.075000002980232 | 0.10999998450279 | 0.0016794170951471 | 0.0006913126562722 | 0.00 | 0.0014823451638222 | 0.0021734368056059 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○atan2f | gmx_mpi | 0.0030735947657377 | 0.0010776560520753 | 0.00 | 0.0023535538930446 | 0.0046870494261384 | 0.00999999884516 | 0.0049999998882413 | 0.01 | 0.0099999997764826 | 0.014999999664724 | 0.0016794168623164 | 0.00059223431162536 | 0.00 | 0.00128469907213 | 0.0025682323612273 | 31 | Math (%): 100.00 |
○gmx_pme_do(gmx_pme_t*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0028927952516824 | 0.0026941397227347 | 0.01 | 0.0054160323925316 | 0.0083091631531715 | 0.014999998733401 | 0.0049999998882413 | 0.01 | 0.014999998733401 | 0.024999998509884 | 0.0015806277515367 | 0.0014805855462328 | 0.00 | 0.0029639308340847 | 0.0045422366820276 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_task_team_sync | libiomp5.so | 0.0028927952516824 | 0.0025339117273688 | 0.00 | 0.0042447308078408 | 0.006154224742204 | 0.014999998733401 | 0.0049999998882413 | 0.01 | 0.014999998733401 | 0.029999997466803 | 0.0015806277515367 | 0.0013831532560289 | 0.00 | 0.0023673127871007 | 0.0033590022940189 | 31 | OMP (%): 100.00 |
○gmx_parallel_3dfft_real_limits(gmx_parallel_3dfft*, int*, int*, int*) | libgromacs_mpi.so.7 | 0.0028927952516824 | 0.0017686379142106 | 0.00 | 0.0028927952516824 | 0.004545085132122 | 0.0099999997764826 | 0.0049999998882413 | 0.01 | 0.0099999997764826 | 0.015000000596046 | 0.0015806277515367 | 0.00098638038616627 | 0.00 | 0.0015806277515367 | 0.0024705079849809 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) | libgromacs_mpi.so.7 | 0.0028927952516824 | 0.0019757025875151 | 0.00 | 0.0028873826377094 | 0.0043539446778595 | 0.079999998211861 | 0.054999992251396 | 0.08 | 0.079999998211861 | 0.12000000476837 | 0.0015806277515367 | 0.0010857627494261 | 0.00 | 0.0015800498658791 | 0.0023713991977274 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0027119955047965 | 0.0018063398310915 | 0.00 | 0.0032266317866743 | 0.0047268886119127 | 0.00999999884516 | 0.0050000003539026 | 0.01 | 0.0099999997764826 | 0.019999999552965 | 0.0014818385243416 | 0.00098744279239327 | 0.00 | 0.0017767025856301 | 0.0025693280622363 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__intel_rtdd_indep | gmx_mpi | 0.0027119955047965 | 0.0012679354986176 | 0.00 | 0.0027229757979512 | 0.0039747557602823 | 0.00999999884516 | 0.0049999998882413 | 0.01 | 0.0099999997764826 | 0.01999999769032 | 0.0014818385243416 | 0.00069160258863121 | 0.00 | 0.0014823806704953 | 0.0021740247029811 | 31 | System (%): 100.00 |
○Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0027119952719659 | 0.0018027111655101 | 0.00 | 0.0032581188715994 | 0.0047024302184582 | 0.074999995529652 | 0.049999997019768 | 0.09 | 0.089999988675117 | 0.13000001013279 | 0.0014818384079263 | 0.00098778156097978 | 0.00 | 0.0017776656895876 | 0.0025687180459499 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○clear_fshift(float*) | libgromacs_mpi.so.7 | 0.0025311957579106 | 0.0019894898869097 | 0.00 | 0.0034391256049275 | 0.0050873979926109 | 0.014999998733401 | 0.00999999884516 | 0.01 | 0.014999999664724 | 0.024999996647239 | 0.0013830491807312 | 0.0010867653181776 | 0.00 | 0.001876424998045 | 0.0027665640227497 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○nral_rt(int) | libgromacs_mpi.so.7 | 0.0023503960110247 | 0.0010812144028023 | 0.00 | 0.0018104262417182 | 0.0027158705051988 | 0.0099999997764826 | 0.0049999998882413 | 0.01 | 0.0099999997764826 | 0.014999999664724 | 0.0012842599535361 | 0.00059255381347612 | 0.00 | 0.00098811229690909 | 0.0014819654170424 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_api_omp_get_thread_num | libiomp5.so | 0.0023503960110247 | 0.00072184577584267 | 0.00 | 0.0018169278046116 | 0.0044902330264449 | 0.0099999997764826 | 0.0049999998882413 | 0.01 | 0.0099999997764826 | 0.015000000596046 | 0.0012842599535361 | 0.00039538368582726 | 0.00 | 0.00098805862944573 | 0.0024676427710801 | 31 | OMP (%): 100.00 |
○sincosf | gmx_mpi | 0.0023503960110247 | 0.00090521312085912 | 0.00 | 0.0018171118572354 | 0.0029070847667754 | 0.0099999997764826 | 0.0049999998882413 | 0.01 | 0.00999999884516 | 0.014999999664724 | 0.0012842599535361 | 0.00049411511281505 | 0.00 | 0.00098794174846262 | 0.0015808939933777 | 31 | Math (%): 100.00 |
○gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0021695964969695 | 0.00090520619414747 | 0.00 | 0.0019914687145501 | 0.002907084999606 | 0.060000002384186 | 0.025000000372529 | 0.06 | 0.054999999701977 | 0.079999998211861 | 0.0011854708427563 | 0.00049379601841792 | 0.00 | 0.0010872873244807 | 0.001580894109793 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_intel_fast_memset | gmx_mpi | 0.0021695964969695 | 0.001985878450796 | 0.00 | 0.0030533587560058 | 0.0047240126878023 | 0.0099999997764826 | 0.0049999998882413 | 0.01 | 0.0099999997764826 | 0.02000000141561 | 0.0011854708427563 | 0.0010867746314034 | 0.00 | 0.0016779971774668 | 0.0025689525064081 | 31 | Memory (%): 100.00 |
○__xpg_basename | libc.so.6 | 0.0019887967500836 | 0.0003619315684773 | 0.00 | 0.001084758900106 | 0.0021510880906135 | 0.055000003427267 | 0.00999999884516 | 0.03 | 0.029999999329448 | 0.059999998658895 | 0.0010866816155612 | 0.00019757986592595 | 0.00 | 0.00059278617845848 | 0.0011850375449285 | 31 | System (%): 100.00 |
○__kmp_allocate_team | libiomp5.so | 0.0019887965172529 | 0.00036054223892279 | 0.00 | 0.001083803945221 | 0.0025398009456694 | 0.054999995976686 | 0.00999999884516 | 0.03 | 0.029999997466803 | 0.070000000298023 | 0.0010866813827306 | 0.00019755633547902 | 0.00 | 0.00059255218366161 | 0.0013838201994076 | 31 | OMP (%): 100.00 |
○__kmp_fork_call | libiomp5.so | 0.001807997119613 | 0.00072614487726241 | 0.00 | 0.001628692029044 | 0.0034392951056361 | 0.050000004470348 | 0.01999999769032 | 0.05 | 0.044999998062849 | 0.095000006258488 | 0.00098789238836616 | 0.00039517032564618 | 0.00 | 0.00088917172979563 | 0.0018780415412039 | 31 | OMP (%): 100.00 |
○_IO_vfprintf | libc.so.6 | 0.001807997119613 | 0.001078165252693 | 0.00 | 0.0018099370645359 | 0.0030777002684772 | 0.050000004470348 | 0.029999999329448 | 0.05 | 0.049999997019768 | 0.084999985992908 | 0.00098789238836616 | 0.00059202749980614 | 0.00 | 0.00098789238836616 | 0.0016789061482996 | 31 | IO (%): 100.00 |
○calculateSimpleBond(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0018079968867823 | 0.00072108447784558 | 0.00 | 0.0016241527628154 | 0.0026888600550592 | 0.0099999997764826 | 0.00499999942258 | 0.01 | 0.0050000003539026 | 0.014999999664724 | 0.00098789227195084 | 0.00039511267095804 | 0.00 | 0.00088914763182402 | 0.0014812968438491 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_yield | libiomp5.so | 0.0018079968867823 | 0.0014484643470496 | 0.00 | 0.0036088861525059 | 0.0054298113100231 | 0.00999999884516 | 0.0049999998882413 | 0.01 | 0.0099999997764826 | 0.019999999552965 | 0.00098789227195084 | 0.00079028611071408 | 0.00 | 0.001975174061954 | 0.0029639001004398 | 31 | OMP (%): 100.00 |
○dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0016271972563118 | 0.00072080950485542 | 0.00 | 0.0018169278046116 | 0.0027170046232641 | 0.044999998062849 | 0.019999999552965 | 0.05 | 0.049999997019768 | 0.074999988079071 | 0.00088910310296342 | 0.00039503583684564 | 0.00 | 0.00098825362510979 | 0.0014820055803284 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○float (anonymous namespace)::idihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0016271972563118 | 0.0012614165898412 | 0.00 | 0.0023360247723758 | 0.004122918471694 | 0.0049999998882413 | 0.0049999998882413 | 0.01 | 0.010000000707805 | 0.029999999329448 | 0.00088910310296342 | 0.0006913126562722 | 0.00 | 0.0012827262980863 | 0.0022713218349963 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_omp_get_thread_num() | libgromacs_mpi.so.7 | 0.0016271972563118 | 0.0005416032508947 | 0.00 | 0.0014544272562489 | 0.0027149056550115 | 0.00999999884516 | 0.0049999998882413 | 0.01 | 0.0050000003539026 | 0.014999999664724 | 0.00088910310296342 | 0.00029639308922924 | 0.00 | 0.00079056253889576 | 0.0014819500502199 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○mkl_dft_avx512_transfer_ipp_mkl_error@plt | libmkl_avx512.so.2 | 0.0016271972563118 | 0.00072408741107211 | 0.00 | 0.0016250173794106 | 0.0028873831033707 | 0.00999999884516 | 0.00499999942258 | 0.01 | 0.00999999884516 | 0.014999998733401 | 0.00088910310296342 | 0.00039499351987615 | 0.00 | 0.00088907184544951 | 0.001581534743309 | 31 | Math (%): 100.00 |
○getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool) | libgromacs_mpi.so.7 | 0.0014463976258412 | 0.00017960932746064 | 0.00 | 0.00090521312085912 | 0.0015917741693556 | 0.03999999910593 | 0.00499999942258 | 0.03 | 0.025000000372529 | 0.044999994337559 | 0.00079031387576833 | 9.8705706477631e-05 | 0.00 | 0.00049397087423131 | 0.00088774238247424 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_join_call | libiomp5.so | 0.0014463976258412 | 0.00018044430180453 | 0.00 | 0.00054424308473244 | 0.0018055748660117 | 0.03999999910593 | 0.00499999942258 | 0.02 | 0.014999999664724 | 0.049999997019768 | 0.00079031387576833 | 9.8729513410944e-05 | 0.00 | 0.0002964760933537 | 0.00098811229690909 | 31 | OMP (%): 100.00 |
○__kmp_acquire_ticket_lock | libiomp5.so | 0.0014463976258412 | 0.00018079314031638 | 0.00 | 0.0014453657204285 | 0.0023547376040369 | 0.03999999910593 | 0.0049999998882413 | 0.04 | 0.03999999910593 | 0.064999997615814 | 0.00079031387576833 | 9.8729513410944e-05 | 0.00 | 0.00079031946370378 | 0.0012845461023971 | 31 | OMP (%): 100.00 |
○gmx::LegacySimulator::do_md() | libgromacs_mpi.so.7 | 0.0012655978789553 | 0.00018027111946139 | 0.00 | 0.00072614487726241 | 0.0017960933037102 | 0.034999996423721 | 0.00499999942258 | 0.02 | 0.019999999552965 | 0.049999993294477 | 0.00069152459036559 | 9.8778167739511e-05 | 0.00 | 0.00039530149661005 | 0.00098705699201673 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_internal_fork | libiomp5.so | 0.0010847982484847 | 0.00036158628063276 | 0.00 | 0.00090855592861772 | 0.0019718306139112 | 0.030000001192093 | 0.0099999997764826 | 0.03 | 0.025000000372529 | 0.054999999701977 | 0.00059273542137817 | 0.00019745902682189 | 0.00 | 0.0004941268125549 | 0.0010862842900679 | 31 | OMP (%): 100.00 |
○__kmp_resume_if_soft_paused | libiomp5.so | 0.0010847982484847 | 0.0005390826263465 | 0.00 | 0.00090510933659971 | 0.003428767202422 | 0.00999999884516 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.010000000707805 | 0.00059273542137817 | 0.00029601374990307 | 0.00 | 0.00049400189891458 | 0.0018780726240948 | 31 | OMP (%): 100.00 |
○gmx_reverse_top_t::molblockIndices() const | libgromacs_mpi.so.7 | 0.0010847982484847 | 0.00018044430180453 | 0.00 | 0.00072253600228578 | 0.0016337855486199 | 0.00499999942258 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00059273542137817 | 9.8758697276935e-05 | 0.00 | 0.0003951093822252 | 0.00088942842558026 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○acosf | gmx_mpi | 0.0010847982484847 | 0.00018079314031638 | 0.00 | 0.001089217257686 | 0.0019998375792056 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0050000003539026 | 0.014999998733401 | 0.00059273542137817 | 9.8729513410944e-05 | 0.00 | 0.00059306574985385 | 0.0010870235273615 | 31 | Math (%): 100.00 |
○do_force(_IO_FILE*, t_commrec const*, gmx_multisim_t const*, t_inputrec const&, gmx::Awh*, gmx_enfrot*, gmx::ImdSession*, pull_t*, long, t_nrnb*, gmx_wallcycle*, gmx_localtop_t const*, float const (*) [3], gmx::ArrayRefWithPadding | libgromacs_mpi.so.7 | 0.0010847981320694 | 0.00017960932746064 | 0.00 | 0.00054340093629435 | 0.0010851919651031 | 0.029999997466803 | 0.00499999942258 | 0.02 | 0.014999999664724 | 0.030000001192093 | 0.0005927353631705 | 9.8671254818328e-05 | 0.00 | 0.00029641762375832 | 0.0005927353631705 | 29 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○low_set_pbc(t_pbc*, PbcType, int const*, float const (*) [3]) | libgromacs_mpi.so.7 | 0.0010847981320694 | 0.00018099369481206 | 0.00 | 0.00090529018780217 | 0.0014463451225311 | 0.029999997466803 | 0.0049999998882413 | 0.03 | 0.025000000372529 | 0.03999999910593 | 0.0005927353631705 | 9.8796663223766e-05 | 0.00 | 0.00049405614845455 | 0.00079076737165451 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○mk_mshift(_IO_FILE*, t_graph*, PbcType, float const (*) [3], float const (*) [3]) | libgromacs_mpi.so.7 | 0.0010847981320694 | 0.00054259592434391 | 0.00 | 0.00090503302635625 | 0.0014490692410618 | 0.029999997466803 | 0.014999999664724 | 0.03 | 0.025000000372529 | 0.040000002831221 | 0.0005927353631705 | 0.00029627757612616 | 0.00 | 0.00049398333067074 | 0.00079040304990485 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_run_after_invoked_task | libiomp5.so | 0.00090399844339117 | 0.00036282872315496 | 0.00 | 0.0015917741693556 | 0.0027118972502649 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0099999979138374 | 0.015000000596046 | 0.00049394613597542 | 0.0001976166095119 | 0.00 | 0.00088774238247424 | 0.0014809428248554 | 31 | OMP (%): 100.00 |
○gmx_reverse_top_t::interactionListForMoleculeType(int) const | libgromacs_mpi.so.7 | 0.00090399844339117 | 0.00036054223892279 | 0.00 | 0.00090846390230581 | 0.0021703836973757 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.010000000707805 | 0.00049394613597542 | 0.0001975546911126 | 0.00 | 0.0004941268125549 | 0.0011853403411806 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_dl_rtld_di_serinfo | ld-linux-x86-64.so.2 | 0.00090399844339117 | 0.00017686378851067 | 0.00 | 0.00036360681406222 | 0.00090855581220239 | 0.019999999552965 | 0.00499999942258 | 0.01 | 0.0099999997764826 | 0.019999999552965 | 0.00049394613597542 | 9.8638032795861e-05 | 0.00 | 0.00019764063472394 | 0.0004941268125549 | 31 | System (%): 96.02 MPI (%): 3.33 OMP (%): 0.65 |
○gmx_pme_do(gmx_pme_t*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00090399844339117 | 0.00017969420878217 | 0.00 | 0.00036273401929065 | 0.00090707180788741 | 0.024999998509884 | 0.00499999942258 | 0.01 | 0.0099999997764826 | 0.025000000372529 | 0.00049394613597542 | 9.8671254818328e-05 | 0.00 | 0.00019760271970881 | 0.00049411511281505 | 28 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00090399844339117 | 0.00036054223892279 | 0.00 | 0.00072345085209236 | 0.0018100660527125 | 0.024999998509884 | 0.00999999884516 | 0.02 | 0.019999999552965 | 0.049999993294477 | 0.00049394613597542 | 0.00019745902682189 | 0.00 | 0.00039503679727204 | 0.00098794174846262 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_release_ticket_lock | libiomp5.so | 0.00090399844339117 | 0.00036307243863121 | 0.00 | 0.0012637408217415 | 0.0019986208062619 | 0.024999998509884 | 0.00999999884516 | 0.03 | 0.034999996423721 | 0.054999995976686 | 0.00049394613597542 | 0.00019758516282309 | 0.00 | 0.00069123861612752 | 0.0010868646204472 | 31 | OMP (%): 100.00 |
○Nbnxm::GridSet::setLocalAtomOrder() | libgromacs_mpi.so.7 | 0.00090399844339117 | 0.00018044430180453 | 0.00 | 0.00072677119169384 | 0.0014450720045716 | 0.024999998509884 | 0.0049999998882413 | 0.02 | 0.019999999552965 | 0.03999999910593 | 0.00049394613597542 | 9.8758697276935e-05 | 0.00 | 0.00039518738049082 | 0.00078995432704687 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_parallel_3dfft_execute(gmx_parallel_3dfft*, gmx_fft_direction, int, gmx_wallcycle*) | libgromacs_mpi.so.7 | 0.0007231988129206 | 0.00017686378851067 | 0.00 | 0.00054442585678771 | 0.0014450720045716 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00039515693788417 | 9.8638032795861e-05 | 0.00 | 0.0002964634768432 | 0.00078995432704687 | 30 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::SettleData::setConstraints(InteractionList const&, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0007231988129206 | 0.00018020237621386 | 0.00 | 0.00054524431470781 | 0.0010860395850614 | 0.019999999552965 | 0.0049999998882413 | 0.02 | 0.015000000130385 | 0.029999999329448 | 0.00039515693788417 | 9.8758959211409e-05 | 0.00 | 0.00029645943141077 | 0.00059277995023876 | 30 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_reverse_top_t::hasIntermolecularInteractions() const | libgromacs_mpi.so.7 | 0.0007231988129206 | 0.00017960932746064 | 0.00 | 0.00072364311199636 | 0.0018105803756043 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.010000000707805 | 0.00039515693788417 | 9.8705706477631e-05 | 0.00 | 0.00039516363176518 | 0.00098785758018494 | 30 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○dd_bonded_cg_distance(gmx::MDLogger const&, gmx_mtop_t const&, t_inputrec const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0007231988129206 | 0.00018063400057144 | 0.00 | 0.00072177720721811 | 0.0012660573702306 | 0.019999999552965 | 0.0049999998882413 | 0.02 | 0.01999999769032 | 0.035000000149012 | 0.00039515693788417 | 9.8744290880859e-05 | 0.00 | 0.00039503478910774 | 0.00069173518568277 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmpc_masked | libiomp5.so | 0.0007231988129206 | 0.00035372757702135 | 0.00 | 0.0010816267458722 | 0.0018171118572354 | 0.0049999998882413 | 0.0049999998882413 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00039515693788417 | 0.00019727606559172 | 0.00 | 0.00059237709501758 | 0.00098778365645558 | 31 | OMP (%): 100.00 |
○gmx::InMemoryDeserializer::doFloat(float*) | libgromacs_mpi.so.7 | 0.0007231988129206 | 0.00018067071505357 | 0.00 | 0.00072346127126366 | 0.00090520619414747 | 0.019999999552965 | 0.0049999998882413 | 0.02 | 0.019999999552965 | 0.025000000372529 | 0.00039515693788417 | 9.8819306003861e-05 | 0.00 | 0.00039511345676146 | 0.00049398333067074 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_IO_fwrite | libc.so.6 | 0.0007231988129206 | 0.00018063400057144 | 0.00 | 0.00072684470796958 | 0.0010901568457484 | 0.019999999552965 | 0.0049999998882413 | 0.02 | 0.019999999552965 | 0.029999999329448 | 0.00039515693788417 | 9.8744290880859e-05 | 0.00 | 0.00039530149661005 | 0.00059286737814546 | 31 | IO (%): 100.00 |
○expf | gmx_mpi | 0.0007231988129206 | 0.00017925731663126 | 0.00 | 0.00054301985073835 | 0.00088431889889762 | 0.019999999552965 | 0.00499999942258 | 0.01 | 0.014999999664724 | 0.024999996647239 | 0.00039515693788417 | 9.8705706477631e-05 | 0.00 | 0.00029637772240676 | 0.00049319013487548 | 31 | Math (%): 100.00 |
○@plt_start@ | libiomp5.so | 0.0007231988129206 | 0.00018141436157748 | 0.00 | 0.00088431895710528 | 0.0021703527309 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00039515693788417 | 9.8808304755948e-05 | 0.00 | 0.00049319019308314 | 0.001185562228784 | 31 | OMP (%): 100.00 |
○wallcycleBarrier(gmx_wallcycle*) | libgromacs_mpi.so.7 | 0.00054239912424237 | 0.00018027111946139 | 0.00 | 0.00018121048924513 | 0.00054239912424237 | 0.015000000596046 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.015000000596046 | 0.00029636771068908 | 9.8778167739511e-05 | 0.00 | 9.8802483989857e-05 | 0.00029636771068908 | 8 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmpc_fork_call | libiomp5.so | 0.00054239912424237 | 0.00018055750115309 | 0.00 | 0.00036092288792133 | 0.0010611827019602 | 0.015000000596046 | 0.00499999942258 | 0.01 | 0.0099999997764826 | 0.029999997466803 | 0.00029636771068908 | 9.8729513410944e-05 | 0.00 | 0.00019751791842282 | 0.00059182819677517 | 29 | OMP (%): 100.00 |
○getGroupType(SimulationGroups const&, SimulationAtomGroupType, int) | libgromacs_mpi.so.7 | 0.00054239912424237 | 0.0005305913509801 | 0.00 | 0.0010851918486878 | 0.0023537545930594 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0050000003539026 | 0.014999998733401 | 0.00029636771068908 | 0.00029591409838758 | 0.00 | 0.00059267017059028 | 0.0012849968625233 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_run_before_invoked_task | libiomp5.so | 0.00054239912424237 | 0.00035921865492128 | 0.00 | 0.00088431895710528 | 0.0018105803756043 | 0.00499999942258 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00029636771068908 | 0.00019734250963666 | 0.00 | 0.00049319019308314 | 0.00098785758018494 | 31 | OMP (%): 100.00 |
○mkl_dft_avx512_owns_cRealRecombine_32f@plt | libmkl_avx512.so.2 | 0.00054239912424237 | 0.00018171117699239 | 0.00 | 0.00090529018780217 | 0.0019968983251601 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00029636771068908 | 9.87773455563e-05 | 0.00 | 0.0004939884529449 | 0.0010867184028029 | 31 | Math (%): 100.00 |
○__kmpc_global_thread_num | libiomp5.so | 0.00054239912424237 | 0.0001810580433812 | 0.00 | 0.00089804665185511 | 0.0018067072378471 | 0.00999999884516 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00029636771068908 | 9.878576383926e-05 | 0.00 | 0.00049352849600837 | 0.00098819308914244 | 31 | OMP (%): 100.00 |
○__libc_free | libc.so.6 | 0.00054239912424237 | 0.00017686378851067 | 0.00 | 0.00018113365513273 | 0.00054239912424237 | 0.0099999997764826 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00029636771068908 | 9.8638032795861e-05 | 0.00 | 9.8805874586105e-05 | 0.00029636771068908 | 15 | Memory (%): 100.00 |
○cos | gmx_mpi | 0.00054239912424237 | 0.00017686378851067 | 0.00 | 0.00036257434112485 | 0.0010812144028023 | 0.00499999942258 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.00999999884516 | 0.00029636771068908 | 9.8638032795861e-05 | 0.00 | 0.00019764839089476 | 0.00059255381347612 | 26 | Math (%): 100.00 |
○xdr_float(XDR*, float*) | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00017686378851067 | 0.00 | 0.00018113365513273 | 0.00036208523670211 | 0.0099999997764826 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00019757846894208 | 9.8638032795861e-05 | 0.00 | 9.8800381238107e-05 | 0.00019764603348449 | 13 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00017969420878217 | 0.00 | 0.00018100460874848 | 0.0003615994064603 | 0.0099999997764826 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00019757846894208 | 9.8671254818328e-05 | 0.00 | 9.8801359854406e-05 | 0.00019757846894208 | 8 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::EnergyOutput::recordNonEnergyStep() | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00017925731663126 | 0.00 | 0.00018099369481206 | 0.0003615994064603 | 0.0099999997764826 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00019757846894208 | 9.8744290880859e-05 | 0.00 | 9.8796663223766e-05 | 0.00019757846894208 | 7 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○inflate_fast | libmpi.so.12.0.0 | 0.0003615994064603 | 0.00017925731663126 | 0.00 | 0.00035938841756433 | 0.00036342235398479 | 0.0099999997764826 | 0.00499999942258 | 0.01 | 0.00999999884516 | 0.010000000707805 | 0.00019757846894208 | 9.8705706477631e-05 | 0.00 | 0.00019734250963666 | 0.00019768858328462 | 31 | MPI (%): 100.00 |
○__kmp_internal_join | libiomp5.so | 0.0003615994064603 | 0.00017925731663126 | 0.00 | 0.00018093596736435 | 0.00072416488546878 | 0.0099999997764826 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.019999999552965 | 0.00019757846894208 | 9.8729513410944e-05 | 0.00 | 9.8795935628004e-05 | 0.00039503679727204 | 12 | OMP (%): 100.00 |
○dd_make_local_top(gmx_domdec_t const&, gmx_domdec_zones_t const&, int, float (*) [3], float*, int const*, t_forcerec*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00017960932746064 | 0.00 | 0.00036183110205457 | 0.00072721362812445 | 0.0099999997764826 | 0.00499999942258 | 0.01 | 0.0099999997764826 | 0.01999999769032 | 0.00019757846894208 | 9.8705706477631e-05 | 0.00 | 0.00019757916743402 | 0.00039528126944788 | 20 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○dd_clear_local_constraint_indices(gmx_domdec_t*) | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00017686378851067 | 0.00 | 0.00018104191985913 | 0.00036201323382556 | 0.0099999997764826 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00019757846894208 | 9.8638032795861e-05 | 0.00 | 9.8814445664175e-05 | 0.00019758836424444 | 12 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○PairlistSet::dispatchPruneKernel(nbnxn_atomdata_t const*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00018113365513273 | 0.00 | 0.0005438593798317 | 0.0016133158933371 | 0.00499999942258 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.010000000707805 | 0.00019757846894208 | 9.8800381238107e-05 | 0.00 | 0.00029645489121322 | 0.00088877807138488 | 30 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○void std::vector | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00017960932746064 | 0.00 | 0.00036307243863121 | 0.00090222153812647 | 0.00499999942258 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 0.00019757846894208 | 9.8671254818328e-05 | 0.00 | 0.00019768858328462 | 0.00049379351548851 | 27 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○nonbonded_verlet_t::dispatchNonbondedKernel(gmx::InteractionLocality, interaction_const_t const&, gmx::StepWorkload const&, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00017969420878217 | 0.00 | 0.00018113365513273 | 0.0005408133729361 | 0.0099999997764826 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.014999999664724 | 0.00019757846894208 | 9.8671254818328e-05 | 0.00 | 9.8800381238107e-05 | 0.00029633450321853 | 21 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__default_morecore | libc.so.6 | 0.0003615994064603 | 0.00018020237621386 | 0.00 | 0.00036183110205457 | 0.00071702926652506 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.014999999664724 | 0.00019757846894208 | 9.8748379969038e-05 | 0.00 | 0.00019756412802962 | 0.00039501246646978 | 22 | System (%): 100.00 |
○gmx::InMemoryDeserializer::doReal(float*) | libgromacs_mpi.so.7 | 0.0003615994064603 | 0.00017686378851067 | 0.00 | 0.0001815317227738 | 0.00072345085209236 | 0.0099999997764826 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.019999999552965 | 0.00019757846894208 | 9.8638032795861e-05 | 0.00 | 9.8823016742244e-05 | 0.00039538368582726 | 25 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__libm_exp_k32 | gmx_mpi | 0.0003615994064603 | 0.00017925731663126 | 0.00 | 0.00054541020654142 | 0.001444275258109 | 0.0099999997764826 | 0.0049999998882413 | 0.02 | 0.015000000596046 | 0.03999999910593 | 0.00019757846894208 | 9.8753116617445e-05 | 0.00 | 0.00029646093025804 | 0.00079038151307032 | 31 | Exe (%): 100.00 |
○exp | gmx_mpi | 0.0003615994064603 | 0 | 0.00 | 0.00036166241625324 | 0.0010827685473487 | 0.0099999997764826 | 0 | 0.01 | 0.0099999997764826 | 0.029999999329448 | 0.00019757846894208 | 0 | 0.00 | 0.00019753736705752 | 0.00059307547053322 | 30 | |
○erfcf | gmx_mpi | 0.0003615994064603 | 0 | 0.00 | 0.00036282872315496 | 0.00090901699149981 | 0.0099999997764826 | 0 | 0.01 | 0.0099999997764826 | 0.025000000372529 | 0.00019757846894208 | 0 | 0.00 | 0.00019768858328462 | 0.00049410160863772 | 31 | |
○spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017925731663126 | 0.00 | 0.00018086531781591 | 0.0003620310453698 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.8753116617445e-05 | 0.00 | 9.8789234471042e-05 | 0.00019768858328462 | 7 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○get_pme_ener_vir_q(pme_solve_work_t*, int, PmeOutput*) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017925731663126 | 0.00 | 0.00018096578423865 | 0.00036226731026545 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.8705706477631e-05 | 0.00 | 9.8789932962973e-05 | 0.00019769184291363 | 11 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○ListedForces::haveCpuListedForces(t_fcdata const&) const | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018044430180453 | 0.00 | 0.00018108743824996 | 0.00053777196444571 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.014999999664724 | 9.8789234471042e-05 | 9.8758697276935e-05 | 0.00 | 9.8797267128247e-05 | 0.00029625935712829 | 12 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○void doStopComMotionLinear<3>(t_mdatoms const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018027111946139 | 0.00 | 0.00072223000461236 | 0.0012707535643131 | 0.00499999942258 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.8778167739511e-05 | 0.00 | 0.00039519075653516 | 0.00069191009970382 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○postProcessForces(t_commrec const*, long, t_nrnb*, gmx_wallcycle*, float const (*) [3], gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017969420878217 | 0.00 | 0.00018079970323015 | 0.00018113365513273 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0050000003539026 | 9.8789234471042e-05 | 9.8671254818328e-05 | 0.00 | 9.875919931801e-05 | 9.8800381238107e-05 | 5 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_get_stop_condition() | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017969420878217 | 0.00 | 0.00018079970323015 | 0.00018113365513273 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0050000003539026 | 9.8789234471042e-05 | 9.8671254818328e-05 | 0.00 | 9.8789234471042e-05 | 9.8800381238107e-05 | 3 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○mdoutf_get_tng_box_output_interval(gmx_mdoutf*) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018079970323015 | 0.00 | 0.00018099369481206 | 0.00090101186651736 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.024999998509884 | 9.8789234471042e-05 | 9.8748379969038e-05 | 0.00 | 9.8796663223766e-05 | 0.00049379473784938 | 5 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018079970323015 | 0.00 | 0.00018079970323015 | 0.00018079970323015 | 0.0049999998882413 | 0.0049999998882413 | 0.00 | 0.0049999998882413 | 0.0049999998882413 | 9.8789234471042e-05 | 9.8789234471042e-05 | 0.00 | 9.8789234471042e-05 | 9.8789234471042e-05 | 1 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○compute_globals(gmx_global_stat*, t_commrec*, t_inputrec const*, t_forcerec*, gmx_ekindata_t*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018079314031638 | 0.00 | 0.00054258818272501 | 0.0014421688392758 | 0.0049999998882413 | 0.0049999998882413 | 0.02 | 0.014999999664724 | 0.03999999538064 | 9.8789234471042e-05 | 9.8729513410944e-05 | 0.00 | 0.00029639055719599 | 0.00079022528370842 | 29 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::makeLincsDeviations(gmx::Lincs const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017969420878217 | 0.00 | 0.00018091555102728 | 0.00018169279792346 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0050000003539026 | 9.8789234471042e-05 | 9.8671254818328e-05 | 0.00 | 9.8792057542596e-05 | 9.8844291642308e-05 | 14 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017925731663126 | 0.00 | 0.00036073678347748 | 0.00054460862884298 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0099999993108213 | 0.014999999664724 | 9.8789234471042e-05 | 9.8748379969038e-05 | 0.00 | 0.00019748847262235 | 0.00029639055719599 | 24 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○CpuPpLongRangeNonbondeds::calculate(gmx_pme_t*, t_commrec const*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017686378851067 | 0.00 | 0.00036148329672869 | 0.0009043266181834 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.00999999884516 | 0.025000002235174 | 9.8789234471042e-05 | 9.8638032795861e-05 | 0.00 | 0.00019752572552534 | 0.00049389182822779 | 24 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::EnergyOutput::addDataAtEnergyStep(bool, bool, double, float, gmx_enerdata_t const*, t_lambda const*, float const (*) [3], gmx::PTCouplingArrays, int, float const (*) [3], float const (*) [3], gmx_ekindata_t const*, float const*, gmx::Constraints cons... | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018027111946139 | 0.00 | 0.00018063057359541 | 0.00018180340703111 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0049999998882413 | 9.8789234471042e-05 | 9.8758697276935e-05 | 0.00 | 9.8797554528574e-05 | 9.8845921456814e-05 | 6 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::EnergyDriftTracker::addPoint(double, double) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017925731663126 | 0.00 | 0.00018086531781591 | 0.00018169279792346 | 0.0049999998882413 | 0.0049999998882413 | 0.00 | 0.0049999998882413 | 0.0049999998882413 | 9.8789234471042e-05 | 9.8753116617445e-05 | 0.00 | 9.8789234471042e-05 | 9.8808304755948e-05 | 5 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○reset_enerdata(gmx_enerdata_t*) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017969420878217 | 0.00 | 0.00018103153706761 | 0.00054304656805471 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.014999999664724 | 9.8789234471042e-05 | 9.8671254818328e-05 | 0.00 | 9.8793381766881e-05 | 0.00029653287492692 | 24 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○add_ebin(t_ebin*, int, int, float const*, bool) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017686378851067 | 0.00 | 0.00018050947255688 | 0.00018180340703111 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999996554106 | 0.0050000003539026 | 9.8789234471042e-05 | 9.8638032795861e-05 | 0.00 | 9.8759373940993e-05 | 9.8845921456814e-05 | 8 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○vrescale_resamplekin(float, float, float, float, long, long) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017925731663126 | 0.00 | 0.0001808827437344 | 0.00018100661691278 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0049999998882413 | 9.8789234471042e-05 | 9.8753116617445e-05 | 0.00 | 9.8789583717007e-05 | 9.8794182122219e-05 | 4 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○update_pcouple_before_coordinates(_IO_FILE*, long, t_inputrec const*, t_state*, float (*) [3], float (*) [3], bool) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018046144396067 | 0.00 | 0.00018104191985913 | 0.00036134143010713 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.875919931801e-05 | 0.00 | 9.8806125606643e-05 | 0.00019763861200772 | 8 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○update_tcouple(long, t_inputrec const*, t_state*, gmx_ekindata_t*, t_extmass const*, int, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017686378851067 | 0.00 | 0.00018053541134577 | 0.00036338559584692 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.8638032795861e-05 | 0.00 | 9.8777756647905e-05 | 0.00019761174917221 | 8 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○MPIR_pmi_init | libmpi.so.12.0.0 | 0.00018079970323015 | 0.00018079970323015 | 0.00 | 0.00018079970323015 | 0.00018079970323015 | 0.0049999998882413 | 0.0049999998882413 | 0.00 | 0.0049999998882413 | 0.0049999998882413 | 9.8789234471042e-05 | 9.8789234471042e-05 | 0.00 | 9.8789234471042e-05 | 9.8789234471042e-05 | 1 | MPI (%): 100.00 |
○gmx::ImdSession::run(long, bool, float const (*) [3], gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018020237621386 | 0.00 | 0.00018079970323015 | 0.00018169279792346 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0049999998882413 | 9.8789234471042e-05 | 9.8758697276935e-05 | 0.00 | 9.8789234471042e-05 | 9.8845921456814e-05 | 9 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○AtomProxy::residueNumber() const | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018079970323015 | 0.00 | 0.00018107458890882 | 0.00036307243863121 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.00999999884516 | 9.8789234471042e-05 | 9.8789234471042e-05 | 0.00 | 9.8822336440208e-05 | 0.00019758516282309 | 4 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○InteractionDefinitions::clear() | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018044430180453 | 0.00 | 0.00036111500230618 | 0.0010755439288914 | 0.00499999942258 | 0.0049999989569187 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.8758697276935e-05 | 0.00 | 0.00019745902682189 | 0.00059251871425658 | 23 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○EdgesGenerator::addEdge(int, int) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017925731663126 | 0.00 | 0.0001807168519008 | 0.00018113365513273 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0049999998882413 | 9.8789234471042e-05 | 9.8744290880859e-05 | 0.00 | 9.8771175544243e-05 | 9.8800381238107e-05 | 4 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○__kmp_task_team_wait | libiomp5.so | 0.00018079970323015 | 0.00018020237621386 | 0.00 | 0.00018091077799909 | 0.00036208244273439 | 0.0049999998882413 | 0.0049999998882413 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.8729513410944e-05 | 0.00 | 9.8783290013671e-05 | 0.00019751839863602 | 8 | OMP (%): 100.00 |
○gmx::ForceProviders::calculateForces(gmx::ForceProviderInput const&, gmx::ForceProviderOutput*) const | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018044430180453 | 0.00 | 0.00018099381850334 | 0.00036282872315496 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.8748379969038e-05 | 0.00 | 9.8789583717007e-05 | 0.0001976166095119 | 6 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx_reverse_top_t::hasPositionRestraints() const | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018079970323015 | 0.00 | 0.00072565744630992 | 0.0018053441308439 | 0.00499999942258 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.015000000596046 | 9.8789234471042e-05 | 9.8789234471042e-05 | 0.00 | 0.00039515973185189 | 0.00098797690588981 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○make_local_bondeds_excls(gmx_domdec_t const&, gmx_domdec_zones_t const&, gmx_mtop_t const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017969420878217 | 0.00 | 0.0001815339710447 | 0.00054340093629435 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0050000003539026 | 9.8789234471042e-05 | 9.8671254818328e-05 | 0.00 | 9.8822340078186e-05 | 0.00029640112188645 | 18 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○void std::vector | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017925731663126 | 0.00 | 0.00018100777379005 | 0.00036360681406222 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.8748379969038e-05 | 0.00 | 9.8803953733296e-05 | 0.00019764063472394 | 8 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○ddReopenBalanceRegionCpu(gmx_domdec_t const*) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017969420878217 | 0.00 | 0.00018079314031638 | 0.00035851463326253 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.8671254818328e-05 | 0.00 | 9.8811244242825e-05 | 0.00019750623323489 | 7 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○distributeState(gmx::MDLogger const&, gmx_domdec_t*, gmx_mtop_t const&, t_state*, gmx_ddbox_t const&, t_state*) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018053440726362 | 0.00 | 0.00018086531781591 | 0.00018141436157748 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0049999998882413 | 9.8789234471042e-05 | 9.8748379969038e-05 | 0.00 | 9.8794182122219e-05 | 9.8811244242825e-05 | 7 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○reduce_energies_over_lists(nbnxn_atomdata_t const*, int, float*, float*) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017925731663126 | 0.00 | 0.00018102185276803 | 0.00036307243863121 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.8671254818328e-05 | 0.00 | 9.8797689133789e-05 | 0.00019763861200772 | 15 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○Nbnxm::GridSet::putOnGrid(float const (*) [3], int, float const*, float const*, gmx::UpdateGroupsCog const*, gmx::Range | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017686378851067 | 0.00 | 0.00018102837202605 | 0.00054301985073835 | 0.00499999942258 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.00999999884516 | 9.8789234471042e-05 | 9.8638032795861e-05 | 0.00 | 9.8789583717007e-05 | 0.00029638258274645 | 16 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017686378851067 | 0.00 | 0.00018102837202605 | 0.00036338559584692 | 0.00499999942258 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0050000003539026 | 9.8789234471042e-05 | 9.8638032795861e-05 | 0.00 | 9.8819811682916e-05 | 0.00019761174917221 | 22 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○std::vector | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017960932746064 | 0.00 | 0.00018086271302309 | 0.00018171117699239 | 0.00499999942258 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0049999998882413 | 9.8789234471042e-05 | 9.8705706477631e-05 | 0.00 | 9.8794182122219e-05 | 9.8819306003861e-05 | 7 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○nbnxn_atomdata_add_nbat_fshift_to_fshift(nbnxn_atomdata_t const&, gmx::ArrayRef | libgromacs_mpi.so.7 | 0.00018079970323015 | 0 | 0.00 | 0.00018171117699239 | 0.0007245346205309 | 0.0049999998882413 | 0 | 0.01 | 0.0050000003539026 | 0.019999999552965 | 9.8789234471042e-05 | 0 | 0.00 | 9.8845921456814e-05 | 0.00039520152495243 | 31 | |
○std::vector | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017969420878217 | 0.00 | 0.00018113365513273 | 0.00036360681406222 | 0.00499999942258 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0050000003539026 | 9.8789234471042e-05 | 9.8671254818328e-05 | 0.00 | 9.8800381238107e-05 | 0.00019764063472394 | 17 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○std::vector | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00018053440726362 | 0.00 | 0.00018113365513273 | 0.00054201215971261 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0050000003539026 | 9.8789234471042e-05 | 9.875919931801e-05 | 0.00 | 9.8805874586105e-05 | 0.0002964579325635 | 9 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○void std::vector | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017686378851067 | 0.00 | 0.00018099369481206 | 0.00036208523670211 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.00999999884516 | 9.8789234471042e-05 | 9.8638032795861e-05 | 0.00 | 9.878576383926e-05 | 0.00019764603348449 | 15 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::InMemoryDeserializer::doInt(int*) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017686378851067 | 0.00 | 0.0001810412213672 | 0.00036338559584692 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.8638032795861e-05 | 0.00 | 9.8796845122706e-05 | 0.00019768858328462 | 31 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○gmx::InMemorySerializer::doInt(int*) | libgromacs_mpi.so.7 | 0.00018079970323015 | 0.00017925731663126 | 0.00 | 0.0001810155226849 | 0.00036338559584692 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.010000000707805 | 9.8789234471042e-05 | 9.8705706477631e-05 | 0.00 | 9.8800381238107e-05 | 0.00019765074830502 | 25 | /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 (%): 100.00 |
○_IO_file_xsputn | libc.so.6 | 0.00018079970323015 | 0.00017686378851067 | 0.00 | 0.0001815362193156 | 0.00054298108443618 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.014999998733401 | 9.8789234471042e-05 | 9.8638032795861e-05 | 0.00 | 9.8825374152511e-05 | 0.00029638997511938 | 21 | IO (%): 100.00 |
○mkl_dft_avx512_ippsFFTFwd_RToPerm_32f@plt | libmkl_avx512.so.2 | 0.00018079970323015 | 0.00017969420878217 | 0.00 | 0.0001810155226849 | 0.00036338559584692 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0050000003539026 | 9.8789234471042e-05 | 9.8671254818328e-05 | 0.00 | 9.8800381238107e-05 | 0.00019761174917221 | 11 | Math (%): 100.00 |
○__libm_logf_l9 | gmx_mpi | 0.00018079970323015 | 0.00017686378851067 | 0.00 | 0.00018067071505357 | 0.0003620310453698 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.010000000707805 | 9.8789234471042e-05 | 9.8638032795861e-05 | 0.00 | 9.8789234471042e-05 | 0.00019768858328462 | 15 | Math (%): 100.00 |
○.plt.sec@start | libc.so.6 | 0.00018079970323015 | 0.00018055750115309 | 0.00 | 0.0001810155226849 | 0.00018180340703111 | 0.0049999998882413 | 0.00499999942258 | 0.00 | 0.0049999998882413 | 0.0049999998882413 | 9.8789234471042e-05 | 9.8729513410944e-05 | 0.00 | 9.8811244242825e-05 | 9.8844291642308e-05 | 7 | System (%): 100.00 |
○_dl_mcount | ld-linux-x86-64.so.2 | 0.00018079970323015 | 0.00017686378851067 | 0.00 | 0.0001810155226849 | 0.00054541020654142 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.014999998733401 | 9.8789234471042e-05 | 9.8638032795861e-05 | 0.00 | 9.8811244242825e-05 | 0.00029646093025804 | 23 | System (%): 100.00 |
○unknown_function | [vdso] | 0.00018079970323015 | 0.00017960932746064 | 0.00 | 0.00018092950631399 | 0.0003619315684773 | 0.0049999998882413 | 0.00499999942258 | 0.01 | 0.0049999998882413 | 0.0099999997764826 | 9.8789234471042e-05 | 9.8705706477631e-05 | 0.00 | 9.8797176178777e-05 | 0.00019763861200772 | 10 | Others (%): 100.00 |