Analysing data in: HECToR/phase2b Number of high usage codes: 10 Cores per node: 24.0 Started at: 2010-12-21 Finished at: 2011-11-09 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 3637224.0000 9970608.0000 10513680.0000 1275408.0000 2748480.0000 16416.0000 0.0000 0.0000 Unified Model 3013008.0000 6639432.0000 3996456.0000 1542504.0000 5420256.0000 4887120.0000 98304.0000 0.0000 CASTEP 600576.0000 6712512.0000 6668088.0000 1594056.0000 1705584.0000 2766384.0000 956928.0000 0.0000 cp2k 940080.0000 5654760.0000 3210840.0000 4218120.0000 4448400.0000 127728.0000 0.0000 0.0000 incompact3d 168.0000 4224.0000 107040.0000 302664.0000 208512.0000 9719256.0000 0.0000 0.0000 NEMO 25896.0000 3472680.0000 473328.0000 5738592.0000 391752.0000 204048.0000 0.0000 0.0000 Gromacs 550176.0000 2554800.0000 4465800.0000 852288.0000 12312.0000 0.0000 0.0000 0.0000 MITgcm 2432352.0000 331008.0000 1689480.0000 268488.0000 5400.0000 16224.0000 0.0000 0.0000 ChemShell 43872.0000 308472.0000 4154880.0000 0.0000 0.0000 0.0000 0.0000 0.0000 PDNS3D 4536.0000 116832.0000 266424.0000 111168.0000 376632.0000 3271824.0000 0.0000 0.0000 DL_POLY 877704.0000 343416.0000 98352.0000 348024.0000 49248.0000 517104.0000 1805472.0000 0.0000 ONETEP 105600.0000 802296.0000 2450016.0000 190056.0000 57936.0000 13632.0000 0.0000 0.0000 Hydra 27504.0000 71736.0000 1646712.0000 1173504.0000 503808.0000 0.0000 110592.0000 0.0000 SENGA 0.0000 0.0000 0.0000 36864.0000 2180832.0000 130512.0000 583224.0000 0.0000 NAMD 1688520.0000 634512.0000 1800.0000 74784.0000 0.0000 0.0000 0.0000 0.0000 WRF 12552.0000 956112.0000 1134576.0000 223728.0000 18048.0000 0.0000 0.0000 0.0000 OpenFOAM 61776.0000 197856.0000 1930896.0000 33792.0000 4608.0000 0.0000 0.0000 0.0000 NECI 3168.0000 159672.0000 781536.0000 802752.0000 0.0000 0.0000 0.0000 0.0000 GS2 21864.0000 255672.0000 747264.0000 19344.0000 115968.0000 451248.0000 47520.0000 0.0000 CASINO 144.0000 120.0000 2016.0000 0.0000 1430280.0000 0.0000 112056.0000 0.0000 LAMMPS 40056.0000 709440.0000 355056.0000 390816.0000 0.0000 6336.0000 0.0000 0.0000 NWChem 66456.0000 440376.0000 332160.0000 52992.0000 96192.0000 0.0000 0.0000 0.0000 Quantum Espresso 467160.0000 275280.0000 171024.0000 3072.0000 0.0000 0.0000 0.0000 0.0000 CRYSTAL 123912.0000 54960.0000 19008.0000 20736.0000 69288.0000 102000.0000 89088.0000 0.0000 Amber 51072.0000 272448.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 FVCOM 35760.0000 12072.0000 143520.0000 36864.0000 59904.0000 0.0000 0.0000 0.0000 HiPSTAR 33024.0000 69960.0000 135936.0000 27648.0000 0.0000 0.0000 0.0000 0.0000 HemeLB 840.0000 1104.0000 3840.0000 17664.0000 36864.0000 58368.0000 98304.0000 0.0000 GAMESS 6000.0000 34056.0000 67536.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Fluidity 20760.0000 6840.0000 33888.0000 3072.0000 6144.0000 12288.0000 0.0000 0.0000 DL_MESO 7056.0000 4704.0000 43776.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Oasis 864.0000 37704.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Code_Saturne 0.0000 0.0000 32256.0000 0.0000 0.0000 0.0000 0.0000 0.0000 CHROMA 0.0000 192.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nektar++ 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 Molpro 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Cray Testing 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 EPOCH 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 SimVascular 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Unknown 4192608.0000 10464936.0000 20714808.0000 13404600.0000 11497248.0000 5524248.0000 4181256.0000 214008.0000 ---- ----- ----- ----- ----- ----- ----- ----- ----- Total 19021848.0000 50374608.0000 64404360.0000 32512224.0000 31421040.0000 27824736.0000 8082744.0000 214008.0000 ==== ==== ==== ==== ==== ==== ==== ==== ==== 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 11876 9826 3108 158 67 2 0 0 Unified Model 18623 6387 2466 268 209 115 1 0 CASTEP 2139 3510 1055 124 91 35 7 0 cp2k 3925 3939 618 318 316 3 0 0 incompact3d 2 13 17 28 21 165 0 0 NEMO 114 1598 169 400 16 12 0 0 Gromacs 1886 1405 667 54 3 0 0 0 MITgcm 24173 269 211 13 1 2 0 0 ChemShell 56 727 932 0 0 0 0 0 PDNS3D 22 53 112 29 49 166 0 0 DL_POLY 3174 276 112 49 1 6 17 0 ONETEP 465 794 400 21 5 2 0 0 Hydra 177 56 291 104 13 0 2 0 SENGA 0 0 0 1 137 5 12 0 NAMD 11340 561 2 5 0 0 0 0 WRF 95 483 357 16 2 0 0 0 OpenFOAM 244 133 216 4 1 0 0 0 NECI 20 72 99 25 0 0 0 0 GS2 334 234 619 9 6 49 2 0 CASINO 3 1 2 0 37 0 7 0 LAMMPS 485 275 73 17 0 1 0 0 NWChem 210 317 44 2 2 0 0 0 Quantum Espresso 987 230 32 1 0 0 0 0 CRYSTAL 923 55 13 7 9 5 2 0 Amber 392 245 0 0 0 0 0 0 FVCOM 145 36 32 9 2 0 0 0 HiPSTAR 107 26 11 1 0 0 0 0 HemeLB 7 4 3 6 4 3 2 0 GAMESS 88 87 49 0 0 0 0 0 Fluidity 143 10 11 1 1 1 0 0 DL_MESO 96 13 25 0 0 0 0 0 Oasis 10 146 0 0 0 0 0 0 Code_Saturne 0 0 12 0 0 0 0 0 CHROMA 0 1 0 0 0 0 0 0 Nektar++ 0 0 0 0 0 0 0 0 ELMFIRE 0 0 0 0 0 0 0 0 Molpro 0 0 0 0 0 0 0 0 Cray Testing 0 0 0 0 0 0 0 0 EPOCH 0 0 0 0 0 0 0 0 SimVascular 0 0 0 0 0 0 0 0 Unknown 18798 14816 4338 1585 911 132 98 4 ---- ----- ----- ----- ----- ----- ----- ----- ----- Total 100680 45962 15637 3238 1901 704 150 4 ==== ==== ==== ==== ==== ==== ==== ==== ==== Total code usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs Users Mean Median ==== ========== ====== ==== ====== ===== ==== ====== VASP 28161816.0000 12.04 25037 14.88 83 1077.82 456.0000 Unified Model 25597080.0000 10.95 28069 16.68 144 3149.75 864.0000 CASTEP 21004128.0000 8.98 6961 4.14 52 3252.23 720.0000 cp2k 18599928.0000 7.95 9119 5.42 33 2102.37 1320.0000 incompact3d 10341864.0000 4.42 246 0.15 1 6964.04 6912.0000 NEMO 10306296.0000 4.41 2309 1.37 22 1483.72 1536.0000 Gromacs 8435376.0000 3.61 4015 2.39 29 1031.45 1152.0000 MITgcm 4742952.0000 2.03 24669 14.66 7 723.36 72.0000 ChemShell 4507224.0000 1.93 1715 1.02 7 737.97 384.0000 PDNS3D 4147416.0000 1.77 431 0.26 6 6885.27 7200.0000 DL_POLY 4039320.0000 1.73 3635 2.16 25 8379.62 4104.0000 ONETEP 3619536.0000 1.55 1687 1.00 10 846.43 504.0000 Hydra 3533856.0000 1.51 643 0.38 9 2813.70 1056.0000 SENGA 2931432.0000 1.25 155 0.09 2 9098.07 6048.0000 NAMD 2399616.0000 1.03 11908 7.08 14 186.84 72.0000 WRF 2345016.0000 1.00 953 0.57 26 864.04 504.0000 OpenFOAM 2228928.0000 0.95 598 0.36 5 901.81 768.0000 NECI 1747128.0000 0.75 216 0.13 6 1845.73 768.0000 GS2 1658880.0000 0.71 1253 0.74 11 3426.16 1032.0000 CASINO 1544616.0000 0.66 50 0.03 4 4991.61 4008.0000 LAMMPS 1501704.0000 0.64 851 0.51 10 817.62 384.0000 NWChem 988176.0000 0.42 575 0.34 28 1080.11 264.0000 Quantum Espresso 916536.0000 0.39 1250 0.74 16 310.03 72.0000 CRYSTAL 478992.0000 0.20 1014 0.60 11 7249.86 4032.0000 Amber 323520.0000 0.14 637 0.38 3 130.61 72.0000 FVCOM 288120.0000 0.12 224 0.13 3 2024.17 1152.0000 HiPSTAR 266568.0000 0.11 145 0.09 3 920.99 768.0000 HemeLB 216984.0000 0.09 29 0.02 3 15621.23 9216.0000 GAMESS 107592.0000 0.05 224 0.13 7 560.81 456.0000 Fluidity 82992.0000 0.04 167 0.10 8 2768.54 384.0000 DL_MESO 55536.0000 0.02 134 0.08 2 961.74 768.0000 Oasis 38568.0000 0.02 156 0.09 3 189.27 144.0000 Code_Saturne 32256.0000 0.01 12 0.01 1 1536.00 0.0000 CHROMA 192.0000 0.00 1 0.00 1 192.00 0.0000 Nektar++ 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 Molpro 0.0000 0.00 0 0.00 0 0.00 0.0000 Cray Testing 0.0000 0.00 0 0.00 0 0.00 0.0000 EPOCH 0.0000 0.00 0 0.00 0 0.00 0.0000 SimVascular 0.0000 0.00 0 0.00 0 0.00 0.0000 Unknown 70193712.0000 30.02 40682 24.18 481 3571.85 168.0000 ---- ---------- ------ ---- ------ ----- ---- ------ Total 233855568.0000 100.00 168276 100.00 711 3005.08 1344.0000 ==== ========== ====== ==== ====== ===== ==== ====== Total language usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs ==== ========== ====== ==== ====== Fortran 152536536.0000 65.23 111569 66.30 C 8467632.0000 3.62 4027 2.39 C++ 6185976.0000 2.65 13492 8.02 Unknown 70193712.0000 30.02 40682 24.18 ---- ---------- ------ ---- ------ Total 233855568.0000 100.00 168276 100.00 ==== ========== ====== ==== ====== Total language usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs ==== ========== ====== ==== ====== MPI 108188856.0000 46.26 90402 53.72 MPI+OpenMP 36901392.0000 15.78 30926 18.38 MPI+SharedMem 21004128.0000 8.98 6961 4.14 DMAPP 1095768.0000 0.47 799 0.47 None 0.0000 0.00 0 0.00 Unknown 70193712.0000 30.02 40682 24.18 ---- ---------- ------ ---- ------ Total 233855568.0000 100.00 168276 100.00 ==== ========== ====== ==== ====== Total type usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs ==== ========== ====== ==== ====== Periodic Electronic Structure 72780936.0000 31.12 45068 26.78 Structured Grid 59406072.0000 25.40 58075 34.51 N-body 16699536.0000 7.14 21046 12.51 CFD 5160360.0000 2.21 753 0.45 QM/MM 4507224.0000 1.93 1715 1.02 Unstructured Grid 3937224.0000 1.68 1046 0.62 Monte Carlo 3291744.0000 1.41 266 0.16 Quantum Chemistry 1095768.0000 0.47 799 0.47 Lattice Boltzman 272520.0000 0.12 163 0.10 Earth System Coupler 38568.0000 0.02 156 0.09 Lattice QCD 192.0000 0.00 1 0.00 Particle in Cell 0.0000 0.00 0 0.00 Test Code 0.0000 0.00 0 0.00 Unknown 70193712.0000 30.02 40682 24.18 ---- ---------- ------ ---- ------ Total 233855568.0000 100.00 168276 100.00 ==== ========== ====== ==== ====== Total research area usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs ==== ========== ====== ==== ====== Materials Science 79866576.0000 34.15 49604 29.48 Climate/Ocean Modelling 43401024.0000 18.56 56547 33.60 Computational Fluid Dynamics 20550888.0000 8.79 2075 1.23 Biomolecular Simulation 11158512.0000 4.77 16560 9.84 Chemistry 7350120.0000 3.14 2730 1.62 Combustion Modelling 2931432.0000 1.25 155 0.09 Plasma Science 1658880.0000 0.71 1253 0.74 Medical Physics 216984.0000 0.09 29 0.02 Mesoscale Simulation 55536.0000 0.02 134 0.08 Particle Physics 192.0000 0.00 1 0.00 Internal Service Use 0.0000 0.00 0 0.00 Unknown 70193712.0000 30.02 40682 24.18 ---- ---------- ------ ---- ------ Total 233855568.0000 100.00 168276 100.00 ==== ========== ====== ==== ====== Undefined executables with usage greater than 0.50% of total CPUh: Code CPUh % Time ==== ========== ====== dpulsar 7323048.0000 3.13 terra 4865400.0000 2.08 run 4135872.0000 1.77 pop 3637776.0000 1.56 a.out 2769096.0000 1.18 exe_cofl024de 2514816.0000 1.08 ebl3_par.x.ne 1969512.0000 0.84 cgles 1904976.0000 0.81 hyd.par.xt6 1677192.0000 0.72 bla 1668864.0000 0.71 localexec 1657152.0000 0.71 hyd.par 1627632.0000 0.70 nav.x 1402224.0000 0.60 UnifiedBootst 1214880.0000 0.52 myCPMD_3.15.1 1197840.0000 0.51 boffin 1180032.0000 0.50 ---- ---------- ------ Total 40746312.0000 17.42 ==== ========== ======