Analysing data in: HECToR/phase2a Number of high usage codes: 10 Cores per node: 4.0 Started at: 2010-04-15 Finished at: 2011-05-30 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 ==== ===== ===== ===== ===== ===== ===== ===== ===== Unified Model 4770080.0000 3067172.0000 4146124.0000 2342472.0000 95744.0000 0.0000 0.0000 0.0000 VASP 3586888.0000 6816368.0000 2139456.0000 25600.0000 24576.0000 24576.0000 0.0000 0.0000 CASTEP 461312.0000 2305624.0000 1543080.0000 131920.0000 20480.0000 0.0000 0.0000 0.0000 Hydra 68052.0000 494196.0000 3602944.0000 0.0000 0.0000 0.0000 0.0000 0.0000 cp2k 487572.0000 1216432.0000 1187692.0000 92016.0000 114624.0000 0.0000 0.0000 0.0000 CHROMA 0.0000 128.0000 1123328.0000 1964032.0000 0.0000 0.0000 0.0000 0.0000 NAMD 1613396.0000 672768.0000 416768.0000 0.0000 4096.0000 0.0000 0.0000 0.0000 ChemShell 235320.0000 995072.0000 178176.0000 0.0000 0.0000 0.0000 0.0000 0.0000 WRF 21572.0000 180972.0000 772740.0000 292344.0000 49152.0000 0.0000 0.0000 0.0000 DL_POLY 269796.0000 363136.0000 614400.0000 2048.0000 0.0000 0.0000 0.0000 0.0000 incompact3d 31228.0000 173952.0000 116896.0000 6144.0000 912384.0000 0.0000 0.0000 0.0000 ELMFIRE 0.0000 896.0000 421888.0000 620544.0000 0.0000 0.0000 0.0000 0.0000 Quantum Espresso 708596.0000 259632.0000 9728.0000 4096.0000 0.0000 0.0000 0.0000 0.0000 Fluidity 5900.0000 430680.0000 313088.0000 2048.0000 12288.0000 0.0000 0.0000 0.0000 GS2 8844.0000 662000.0000 72192.0000 0.0000 0.0000 0.0000 0.0000 0.0000 NECI 17688.0000 398208.0000 92672.0000 90040.0000 32660.0000 0.0000 0.0000 0.0000 DL_MESO 240.0000 37760.0000 507904.0000 0.0000 0.0000 0.0000 0.0000 0.0000 MITgcm 455228.0000 2844.0000 11300.0000 0.0000 0.0000 0.0000 0.0000 0.0000 LAMMPS 88124.0000 259040.0000 81952.0000 0.0000 0.0000 0.0000 0.0000 0.0000 SENGA 0.0000 1640.0000 3000.0000 0.0000 318976.0000 0.0000 0.0000 0.0000 CRYSTAL 88468.0000 125392.0000 31232.0000 2048.0000 69632.0000 0.0000 0.0000 0.0000 PDNS3D 4704.0000 3592.0000 284240.0000 4128.0000 0.0000 14400.0000 0.0000 0.0000 Gromacs 219056.0000 71144.0000 4096.0000 0.0000 0.0000 0.0000 0.0000 0.0000 OpenFOAM 26912.0000 79520.0000 176128.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ONETEP 80384.0000 23308.0000 27392.0000 34816.0000 0.0000 0.0000 0.0000 0.0000 Amber 84532.0000 73344.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 NWChem 84192.0000 62592.0000 3072.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Oasis 137160.0000 248.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 CASINO 28.0000 7112.0000 96592.0000 0.0000 0.0000 0.0000 0.0000 0.0000 NEMO 19104.0000 22068.0000 3888.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Code_Saturne 288.0000 0.0000 11776.0000 6144.0000 8192.0000 8192.0000 0.0000 0.0000 FVCOM 5384.0000 5504.0000 512.0000 0.0000 0.0000 0.0000 0.0000 0.0000 GAMESS 528.0000 768.0000 1024.0000 0.0000 0.0000 0.0000 0.0000 0.0000 HemeLB 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 HiPSTAR 0.0000 0.0000 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 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 3325464.0000 7478020.0000 7946968.0000 3018244.0000 270380.0000 589824.0000 416256.0000 132536.0000 ---- ----- ----- ----- ----- ----- ----- ----- ----- Total 16884276.0000 26103392.0000 25169508.0000 8346340.0000 1884032.0000 636992.0000 416256.0000 132536.0000 ==== ==== ==== ==== ==== ==== ==== ==== ==== 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 ==== ===== ===== ===== ===== ===== ===== ===== ===== Unified Model 34484 3720 2812 264 7 0 0 0 VASP 13955 6846 1267 3 2 1 0 0 CASTEP 1716 1668 299 9 3 0 0 0 Hydra 334 403 713 0 0 0 0 0 cp2k 2011 1092 513 13 3 0 0 0 CHROMA 0 1 1670 956 0 0 0 0 NAMD 9021 1221 633 0 1 0 0 0 ChemShell 392 796 62 0 0 0 0 0 WRF 155 193 204 26 1 0 0 0 DL_POLY 1338 233 142 1 0 0 0 0 incompact3d 104 76 23 3 37 0 0 0 ELMFIRE 0 4 53 30 0 0 0 0 Quantum Espresso 1674 208 5 1 0 0 0 0 Fluidity 16 198 65 1 3 0 0 0 GS2 32 466 26 0 0 0 0 0 NECI 37 184 32 9 4 0 0 0 DL_MESO 8 18 93 0 0 0 0 0 MITgcm 6442 2 4 0 0 0 0 0 LAMMPS 240 386 16 0 0 0 0 0 SENGA 0 7 4 0 16 0 0 0 CRYSTAL 482 154 15 1 5 0 0 0 PDNS3D 28 10 137 1 0 2 0 0 Gromacs 639 56 2 0 0 0 0 0 OpenFOAM 98 73 30 0 0 0 0 0 ONETEP 587 130 35 2 0 0 0 0 Amber 957 59 0 0 0 0 0 0 NWChem 270 92 6 0 0 0 0 0 Oasis 1208 2 0 0 0 0 0 0 CASINO 7 16 21 0 0 0 0 0 NEMO 157 26 3 0 0 0 0 0 Code_Saturne 7 0 9 3 2 1 0 0 FVCOM 43 12 1 0 0 0 0 0 GAMESS 17 6 1 0 0 0 0 0 HemeLB 0 0 0 0 0 0 0 0 HiPSTAR 0 0 0 0 0 0 0 0 Nektar++ 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 19664 9993 2526 420 42 27 8 3 ---- ----- ----- ----- ----- ----- ----- ----- ----- Total 95962 28151 11218 1717 125 31 8 3 ==== ==== ==== ==== ==== ==== ==== ==== ==== Total code usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs Users Mean Median ==== ========== ====== ==== ====== ===== ==== ====== Unified Model 14421592.0000 18.12 41287 30.09 139 566.70 256.0000 VASP 12617464.0000 15.86 22074 16.09 69 290.31 240.0000 CASTEP 4462416.0000 5.61 3695 2.69 34 433.76 252.0000 Hydra 4165192.0000 5.23 1450 1.06 15 727.88 256.0000 cp2k 3098336.0000 3.89 3632 2.65 28 580.66 224.0000 CHROMA 3087488.0000 3.88 2627 1.91 3 1531.36 1024.0000 NAMD 2707028.0000 3.40 10876 7.93 14 166.51 32.0000 ChemShell 1408568.0000 1.77 1250 0.91 6 319.67 128.0000 WRF 1316780.0000 1.65 579 0.42 26 1004.24 400.0000 DL_POLY 1249380.0000 1.57 1714 1.25 21 529.94 128.0000 incompact3d 1240604.0000 1.56 243 0.18 5 2672.42 2048.0000 ELMFIRE 1043328.0000 1.31 87 0.06 2 1625.34 1024.0000 Quantum Espresso 982052.0000 1.23 1888 1.38 19 99.58 60.0000 Fluidity 764004.0000 0.96 283 0.21 7 469.17 256.0000 GS2 743036.0000 0.93 524 0.38 6 278.17 192.0000 NECI 631268.0000 0.79 266 0.19 6 771.66 128.0000 DL_MESO 545904.0000 0.69 119 0.09 3 584.15 256.0000 MITgcm 469372.0000 0.59 6448 4.70 4 41.01 16.0000 LAMMPS 429116.0000 0.54 642 0.47 4 269.47 96.0000 SENGA 323616.0000 0.41 27 0.02 2 5798.84 4096.0000 CRYSTAL 316772.0000 0.40 657 0.48 11 1072.77 144.0000 PDNS3D 311064.0000 0.39 178 0.13 4 920.38 508.0000 Gromacs 294296.0000 0.37 697 0.51 13 78.55 56.0000 OpenFOAM 282560.0000 0.36 201 0.15 7 682.28 512.0000 ONETEP 165900.0000 0.21 754 0.55 8 627.56 104.0000 Amber 157876.0000 0.20 1016 0.74 5 87.49 16.0000 NWChem 149856.0000 0.19 368 0.27 11 119.49 48.0000 Oasis 137408.0000 0.17 1210 0.88 3 64.73 32.0000 CASINO 103732.0000 0.13 44 0.03 4 924.86 800.0000 NEMO 45060.0000 0.06 186 0.14 8 263.62 64.0000 Code_Saturne 34592.0000 0.04 22 0.02 2 3554.55 1024.0000 FVCOM 11400.0000 0.01 56 0.04 2 110.33 64.0000 GAMESS 2320.0000 0.00 24 0.02 2 276.41 64.0000 HemeLB 0.0000 0.00 0 0.00 0 0.00 0.0000 HiPSTAR 0.0000 0.00 0 0.00 0 0.00 0.0000 Nektar++ 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 23177692.0000 29.13 32683 23.82 366 1340.59 60.0000 ---- ---------- ------ ---- ------ ----- ---- ------ Total 79573332.0000 100.00 137215 100.00 638 825.34 256.0000 ==== ========== ====== ==== ====== ===== ==== ====== Total language usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs ==== ========== ====== ==== ====== Fortran 50338396.0000 63.26 89940 65.55 C++ 7052096.0000 8.86 14465 10.54 C 328888.0000 0.41 719 0.52 Unknown 23177692.0000 29.13 32683 23.82 ---- ---------- ------ ---- ------ Total 79573332.0000 100.00 137215 100.00 ==== ========== ====== ==== ====== Total language usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs ==== ========== ====== ==== ====== MPI 44583596.0000 56.03 82952 60.45 MPI+OpenMP 8521192.0000 10.71 18085 13.18 MPI+SharedMem 4462416.0000 5.61 3695 2.69 DMAPP 152176.0000 0.19 392 0.29 None 0.0000 0.00 0 0.00 Unknown 23177692.0000 29.13 32683 23.82 ---- ---------- ------ ---- ------ Total 79573332.0000 100.00 137215 100.00 ==== ========== ====== ==== ====== Total type usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs ==== ========== ====== ==== ====== Periodic Electronic Structure 21642940.0000 27.20 32700 23.83 Structured Grid 18547508.0000 23.31 49445 36.03 Unstructured Grid 4975188.0000 6.25 1811 1.32 N-body 4837696.0000 6.08 14945 10.89 Lattice QCD 3087488.0000 3.88 2627 1.91 QM/MM 1408568.0000 1.77 1250 0.91 Particle in Cell 1043328.0000 1.31 87 0.06 Monte Carlo 735000.0000 0.92 310 0.23 CFD 606176.0000 0.76 228 0.17 Lattice Boltzman 545904.0000 0.69 119 0.09 Quantum Chemistry 152176.0000 0.19 392 0.29 Earth System Coupler 137408.0000 0.17 1210 0.88 Test Code 0.0000 0.00 0 0.00 Unknown 23177692.0000 29.13 32683 23.82 ---- ---------- ------ ---- ------ Total 79573332.0000 100.00 137215 100.00 ==== ========== ====== ==== ====== Total research area usage (ordered by CPUh) Code CPUh % Time Jobs % Jobs ==== ========== ====== ==== ====== Materials Science 23425168.0000 29.44 35100 25.58 Climate/Ocean Modelling 17165616.0000 21.57 50049 36.47 Computational Fluid Dynamics 6034012.0000 7.58 2094 1.53 Biomolecular Simulation 3159200.0000 3.97 12589 9.17 Particle Physics 3087488.0000 3.88 2627 1.91 Chemistry 2192012.0000 2.75 1908 1.39 Plasma Science 1786364.0000 2.24 611 0.45 Mesoscale Simulation 545904.0000 0.69 119 0.09 Combustion Modelling 323616.0000 0.41 27 0.02 Medical Physics 0.0000 0.00 0 0.00 Internal Service Use 0.0000 0.00 0 0.00 Unknown 23177692.0000 29.13 32683 23.82 ---- ---------- ------ ---- ------ Total 79573332.0000 100.00 137215 100.00 ==== ========== ====== ==== ====== Undefined executables with usage greater than 0.50% of total CPUh: Code CPUh % Time ==== ========== ====== a.out 2368436.0000 2.98 ioserver, 1825748.0000 2.29 terra 1543456.0000 1.94 IowaReactor 874092.0000 1.10 prg_snaps 811136.0000 1.02 boffinpdf 736224.0000 0.93 testneu.x 714752.0000 0.90 localexec 670620.0000 0.84 hyd.par 657844.0000 0.83 eros_uk_1.5_p 567984.0000 0.71 carpm.linux.p 460224.0000 0.58 GreeM2_contin 421888.0000 0.53 ---- ---------- ------ Total 11652404.0000 14.64 ==== ========== ======