Analysing data in: ARCHER Number of high usage codes: 10 Cores per node: 24.0 Started at: 2014-04-18 Finished at: 2015-03-28 CPUh by job size (in cores) Code 96 384 1536 3072 6144 12288 24756 118080 <96.0000 cores <384.0000 cores <1536.0000 cores <3072.0000 cores <6144.0000 cores <12288.0000 cores <24756.0000 cores <118080.0000 cores ==== ===== ===== ===== ===== ===== ===== ===== ===== VASP 21330720.0000 34882728.0000 15679824.0000 9679152.0000 3502800.0000 914520.0000 44928.0000 4094064.0000 cp2k 4765416.0000 8186520.0000 10189632.0000 4751352.0000 3573960.0000 1919520.0000 286560.0000 1996080.0000 Unified Model 4362024.0000 4269840.0000 7532808.0000 9530544.0000 4130232.0000 2117400.0000 37056.0000 0.0000 Oasis 242976.0000 899544.0000 214176.0000 43608.0000 108480.0000 29982840.0000 0.0000 0.0000 Gromacs 4595832.0000 8126976.0000 11158104.0000 2407080.0000 449280.0000 16176.0000 154968.0000 34200.0000 CASTEP 5557608.0000 8802096.0000 7875960.0000 1984968.0000 220224.0000 144000.0000 1104000.0000 371520.0000 HiPSTAR 720.0000 7176.0000 444408.0000 2353872.0000 2704440.0000 9839232.0000 4208784.0000 4485000.0000 NEMO 2209656.0000 1011048.0000 2867256.0000 5165040.0000 5724168.0000 4388928.0000 0.0000 0.0000 LAMMPS 2867808.0000 4022712.0000 6607320.0000 634080.0000 361920.0000 0.0000 0.0000 0.0000 CASINO 408.0000 386976.0000 2637888.0000 1017120.0000 7996608.0000 456192.0000 909312.0000 0.0000 ONETEP 252192.0000 3527208.0000 4969296.0000 3582600.0000 0.0000 8160.0000 0.0000 0.0000 Hydra 13512.0000 1254024.0000 5782968.0000 2784768.0000 470400.0000 7680.0000 198360.0000 99840.0000 NAMD 1013976.0000 2605392.0000 5374968.0000 481080.0000 0.0000 0.0000 0.0000 0.0000 CRYSTAL 234792.0000 670344.0000 2528208.0000 3167040.0000 516048.0000 656736.0000 103104.0000 783360.0000 PDNS3D 1992.0000 34608.0000 307848.0000 146688.0000 2825280.0000 3962112.0000 0.0000 0.0000 WRF 26472.0000 1148520.0000 391704.0000 2274888.0000 2770200.0000 0.0000 0.0000 0.0000 OpenFOAM 919920.0000 2500104.0000 1912848.0000 1123872.0000 18240.0000 0.0000 0.0000 0.0000 MITgcm 1257552.0000 762456.0000 3267216.0000 13440.0000 114912.0000 0.0000 0.0000 0.0000 DL_POLY 2925120.0000 1184136.0000 721200.0000 196800.0000 0.0000 0.0000 0.0000 0.0000 Code_Saturne 7704.0000 181992.0000 1275840.0000 248832.0000 700416.0000 921600.0000 589824.0000 855360.0000 Amber 4223544.0000 216960.0000 3072.0000 7776.0000 0.0000 0.0000 0.0000 0.0000 Nektar++ 9096.0000 205440.0000 662448.0000 2773824.0000 253440.0000 7680.0000 0.0000 0.0000 EPOCH 720.0000 11856.0000 1476408.0000 452736.0000 944088.0000 420288.0000 0.0000 510000.0000 incompact3d 648.0000 152784.0000 1286064.0000 53664.0000 1778160.0000 328320.0000 0.0000 0.0000 Quantum Espresso 558216.0000 2164200.0000 526632.0000 25680.0000 161424.0000 0.0000 0.0000 0.0000 ChemShell 234864.0000 1108416.0000 2018496.0000 0.0000 0.0000 0.0000 0.0000 0.0000 GS2 10200.0000 351768.0000 1410336.0000 842976.0000 122136.0000 164016.0000 16392.0000 0.0000 SimVascular 24.0000 264.0000 0.0000 0.0000 2641056.0000 0.0000 0.0000 0.0000 NWChem 368520.0000 1340088.0000 601920.0000 98304.0000 0.0000 0.0000 0.0000 0.0000 Fluidity 140112.0000 202080.0000 961968.0000 200160.0000 0.0000 0.0000 0.0000 0.0000 NECI 340872.0000 222360.0000 858672.0000 27264.0000 0.0000 0.0000 0.0000 0.0000 DL_MESO 106992.0000 183720.0000 865536.0000 20736.0000 24192.0000 0.0000 0.0000 0.0000 FVCOM 576.0000 163344.0000 970128.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Cray Testing 0.0000 0.0000 0.0000 0.0000 23040.0000 0.0000 0.0000 942672.0000 GAMESS 119976.0000 49488.0000 456864.0000 114240.0000 0.0000 0.0000 0.0000 0.0000 SENGA 180744.0000 12960.0000 3840.0000 153792.0000 41472.0000 0.0000 0.0000 0.0000 HemeLB 4584.0000 3408.0000 147528.0000 34752.0000 90120.0000 28704.0000 16392.0000 49152.0000 Molpro 1800.0000 5088.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 CHROMA 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ELMFIRE 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Unknown 10101144.0000 18848568.0000 27517152.0000 14456520.0000 10400232.0000 13247112.0000 2330568.0000 3632400.0000 ---- ----- ----- ----- ----- ----- ----- ----- ----- Total 68687616.0000 108487632.0000 130236144.0000 64478280.0000 49896768.0000 69531216.0000 10000248.0000 17853648.0000 ==== ==== ==== ==== ==== ==== ==== ==== ==== Number of jobs by job size Code 96 384 1536 3072 6144 12288 24756 118080 <96.0000 cores <384.0000 cores <1536.0000 cores <3072.0000 cores <6144.0000 cores <12288.0000 cores <24756.0000 cores <118080.0000 cores ==== ===== ===== ===== ===== ===== ===== ===== ===== VASP 151201 43838 5496 1767 402 24 1 13 cp2k 10461 7443 2711 342 127 59 4 8 Unified Model 9766 4968 2398 1344 79 56 2 0 Oasis 705 945 99 14 13 298 0 0 Gromacs 9728 2313 1666 30 11 2 8 1 CASTEP 50348 20387 3562 337 20 1 4 2 HiPSTAR 15 26 218 324 160 326 68 9 NEMO 12210 4378 1357 1185 289 79 0 0 LAMMPS 7315 1896 615 17 8 0 0 0 CASINO 6 123 430 89 208 3 2 0 ONETEP 662 1739 668 120 0 1 0 0 Hydra 53 370 350 125 18 1 10 3 NAMD 3753 3480 1669 11 0 0 0 0 CRYSTAL 372 846 391 488 97 37 4 2 PDNS3D 32 89 97 11 335 191 0 0 WRF 76 770 158 127 39 0 0 0 OpenFOAM 1058 1162 188 148 4 0 0 0 MITgcm 4633 1626 2018 2 5 0 0 0 DL_POLY 5020 1387 251 25 0 0 0 0 Code_Saturne 72 100 197 23 15 15 13 13 Amber 7797 188 4 3 0 0 0 0 Nektar++ 37 66 144 165 14 1 0 0 EPOCH 16 21 222 23 21 4 0 3 incompact3d 10 138 323 10 48 8 0 0 Quantum Espresso 2442 1876 121 6 8 0 0 0 ChemShell 203 818 670 0 0 0 0 0 GS2 120 1213 547 94 27 18 1 0 SimVascular 1 1 0 0 94 0 0 0 NWChem 3285 990 67 13 0 0 0 0 Fluidity 333 74 83 7 0 0 0 0 NECI 573 117 121 7 0 0 0 0 DL_MESO 247 44 951 9 7 0 0 0 FVCOM 7 54 72 0 0 0 0 0 Cray Testing 0 0 0 0 4 0 0 8 GAMESS 227 60 89 3 0 0 0 0 SENGA 164 10 2 8 3 0 0 0 HemeLB 41 14 60 10 11 3 1 1 Molpro 9 6 0 0 0 0 0 0 CHROMA 0 0 0 0 0 0 0 0 ELMFIRE 0 0 0 0 0 0 0 0 Unknown 47170 17843 7796 1173 842 498 87 60 ---- ----- ----- ----- ----- ----- ----- ----- ----- Total 329672 120595 35255 6851 2870 1625 205 123 ==== ==== ==== ==== ==== ==== ==== ==== ==== Total code usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs Users Mean Median ==== ========== ====== ==== ====== ===== ==== ====== VASP 90128736.0000 17.36 202742 40.78 177 2202.36 240.0000 cp2k 35669040.0000 6.87 21155 4.25 78 3702.55 672.0000 Unified Model 31979904.0000 6.16 18613 3.74 159 2087.09 1392.0000 Oasis 31491624.0000 6.07 2074 0.42 10 6249.98 5232.0000 Gromacs 26942616.0000 5.19 13759 2.77 69 941.73 432.0000 CASTEP 26060376.0000 5.02 74661 15.02 92 2434.20 360.0000 HiPSTAR 24043632.0000 4.63 1146 0.23 11 14439.7510344.0000 NEMO 21366096.0000 4.12 19498 3.92 21 3589.34 1920.0000 LAMMPS 14493840.0000 2.79 9851 1.98 50 672.84 456.0000 CASINO 13404504.0000 2.58 861 0.17 4 5991.07 5016.0000 ONETEP 12339456.0000 2.38 3190 0.64 23 1079.92 864.0000 Hydra 10611552.0000 2.04 930 0.19 13 2069.26 1248.0000 NAMD 9475416.0000 1.83 8913 1.79 34 613.54 480.0000 CRYSTAL 8659632.0000 1.67 2237 0.45 26 6945.64 2808.0000 PDNS3D 7278528.0000 1.40 755 0.15 9 6721.09 6144.0000 WRF 6611784.0000 1.27 1170 0.24 20 2591.09 2064.0000 OpenFOAM 6474984.0000 1.25 2560 0.51 19 695.84 288.0000 MITgcm 5415576.0000 1.04 8284 1.67 23 571.12 384.0000 DL_POLY 5027256.0000 0.97 6683 1.34 31 312.50 72.0000 Code_Saturne 4781568.0000 0.92 448 0.09 10 18336.89 3072.0000 Amber 4451352.0000 0.86 7992 1.61 21 72.53 24.0000 Nektar++ 3911928.0000 0.75 427 0.09 7 2185.57 1920.0000 EPOCH 3816096.0000 0.74 310 0.06 8 7241.00 2400.0000 incompact3d 3599640.0000 0.69 537 0.11 6 3099.86 2064.0000 Quantum Espresso 3436152.0000 0.66 4453 0.90 46 611.92 192.0000 ChemShell 3361776.0000 0.65 1691 0.34 5 494.82 384.0000 GS2 2917824.0000 0.56 2020 0.41 14 1626.35 576.0000 SimVascular 2641344.0000 0.51 96 0.02 3 4539.75 3384.0000 NWChem 2408832.0000 0.46 4355 0.88 28 571.49 240.0000 Fluidity 1504320.0000 0.29 497 0.10 11 782.23 360.0000 NECI 1449168.0000 0.28 818 0.16 5 518.79 432.0000 DL_MESO 1201176.0000 0.23 1258 0.25 6 550.37 480.0000 FVCOM 1134048.0000 0.22 133 0.03 4 829.89 792.0000 Cray Testing 965712.0000 0.19 12 0.00 1 78921.1971592.0000 GAMESS 740568.0000 0.14 379 0.08 8 1008.65 960.0000 SENGA 392808.0000 0.08 187 0.04 4 1100.20 216.0000 HemeLB 374640.0000 0.07 141 0.03 6 10147.13 2064.0000 Molpro 6888.0000 0.00 15 0.00 2 139.90 120.0000 CHROMA 0.0000 0.00 0 0.00 0 0.00 0.0000 ELMFIRE 0.0000 0.00 0 0.00 0 0.00 0.0000 Unknown 100533696.0000 19.36 75469 15.18 516 5118.04 96.0000 ---- ---------- ------ ---- ------ ----- ---- ------ Total 519171552.0000 100.00 497196 100.00 1157 4052.53 936.0000 ==== ========== ====== ==== ====== ===== ==== ====== Total language usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs ==== ========== ====== ==== ====== Fortran 359681808.0000 69.28 387527 77.94 C++ 38198688.0000 7.36 23105 4.65 C 32689896.0000 6.30 14219 2.86 Unknown 100533696.0000 19.36 75469 15.18 ---- ---------- ------ ---- ------ Total 519171552.0000 100.00 497196 100.00 ==== ========== ====== ==== ====== Total language usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs ==== ========== ====== ==== ====== MPI 281825280.0000 54.28 281917 56.70 MPI+OpenMP 118569624.0000 22.84 63527 12.78 MPI+SharedMem 26060376.0000 5.02 74661 15.02 DMAPP 3149400.0000 0.61 4734 0.95 None 965712.0000 0.19 12 0.00 Unknown 100533696.0000 19.36 75469 15.18 ---- ---------- ------ ---- ------ Total 519171552.0000 100.00 497196 100.00 ==== ========== ====== ==== ====== Total type usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs ==== ========== ====== ==== ====== Periodic Electronic Structure 176293392.0000 33.96 308438 62.04 Structured Grid 103212984.0000 19.88 52023 10.46 N-body 60390480.0000 11.63 47198 9.49 Earth System Coupler 31491624.0000 6.07 2074 0.42 Unstructured Grid 24584760.0000 4.74 2531 0.51 Monte Carlo 14853672.0000 2.86 1679 0.34 CFD 6867792.0000 1.32 2747 0.55 Particle in Cell 3816096.0000 0.74 310 0.06 QM/MM 3361776.0000 0.65 1691 0.34 Quantum Chemistry 3156288.0000 0.61 4749 0.96 Lattice Boltzman 1575816.0000 0.30 1399 0.28 Test Code 965712.0000 0.19 12 0.00 Lattice QCD 0.0000 0.00 0 0.00 Unknown 100533696.0000 19.36 75469 15.18 ---- ---------- ------ ---- ------ Total 519171552.0000 100.00 497196 100.00 ==== ========== ====== ==== ====== Total research area usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs ==== ========== ====== ==== ====== Materials Science 209218992.0000 40.30 325833 65.53 Climate/Ocean Modelling 99503352.0000 19.17 50269 10.11 Computational Fluid Dynamics 60701832.0000 11.69 6803 1.37 Biomolecular Simulation 40869384.0000 7.87 30664 6.17 Chemistry 7967232.0000 1.53 7258 1.46 Plasma Science 6733920.0000 1.30 2330 0.47 Medical Physics 3015984.0000 0.58 237 0.05 Mesoscale Simulation 1201176.0000 0.23 1258 0.25 Internal Service Use 965712.0000 0.19 12 0.00 Combustion Modelling 392808.0000 0.08 187 0.04 Particle Physics 0.0000 0.00 0 0.00 Unknown 100533696.0000 19.36 75469 15.18 ---- ---------- ------ ---- ------ Total 519171552.0000 100.00 497196 100.00 ==== ========== ====== ==== ====== Undefined executables with usage greater than 0.50% of total CPUh: Code CPUh % Time ==== ========== ====== a.out 7932888.0000 1.53 ucns3d_p 4368744.0000 0.84 wrapper 3383832.0000 0.65 flow_main 3007752.0000 0.58 clover_leaf 2778768.0000 0.54 mpirmt 2657160.0000 0.51 ---- ---------- ------ Total 24129144.0000 4.65 ==== ========== ======