Software,Min,Q1,Median,Q3,Max,Jobs,Nodeh,PercentUse,kWh,PercentEnergy,Users,Projects Overall,1,640.0,2048.0,7680.0,131072,638454,3320707.3,100.0,1402201.9,100.0,681,107 VASP,1,512.0,1280.0,2048.0,51200,86368,835363.7,25.2,352351.0,25.1,121,11 Unidentified,1,1536.0,8000.0,15651.0,131072,41941,567836.8,17.1,228529.7,16.3,274,77 GROMACS,1,1024.0,2560.0,4096.0,8192,44521,264217.9,8.0,131898.3,9.4,32,8 Met Office UM,1,896.0,6016.0,6464.0,7680,43579,234359.9,7.1,79104.3,5.6,31,5 CP2K,1,512.0,1024.0,1280.0,7680,17886,217417.3,6.5,89127.3,6.4,41,9 Nektar++,32,12288.0,12288.0,65536.0,65536,359,172874.2,5.2,85439.3,6.1,7,3 LAMMPS,1,256.0,512.0,1664.0,131072,15166,113797.2,3.4,48186.0,3.4,43,18 iIMB,3072,8192.0,8192.0,8192.0,10752,93,90724.8,2.7,45279.2,3.2,2,1 NEMO,1,5424.0,9000.0,9600.0,9984,2632,89021.5,2.7,39342.0,2.8,23,3 Python,1,2048.0,7680.0,16384.0,131072,12340,86402.4,2.6,36684.7,2.6,67,22 CASTEP,1,256.0,400.0,896.0,2560,322703,79440.6,2.4,31707.1,2.3,33,6 ONETEP,1,192.0,192.0,768.0,768,1516,65208.2,2.0,26441.2,1.9,3,1 CRYSTAL,4,512.0,4096.0,32768.0,32768,653,57736.4,1.7,17758.1,1.3,9,3 GS2,384,4608.0,8448.0,8448.0,8448,437,57585.4,1.7,13224.7,0.9,3,1 OpenFOAM,1,256.0,512.0,2560.0,4096,1352,38106.8,1.1,19376.5,1.4,29,11 Xcompact3d,16,3072.0,16384.0,16384.0,16384,461,34228.1,1.0,17069.4,1.2,9,5 MITgcm,4,240.0,354.0,624.0,1600,17134,32867.4,1.0,16711.8,1.2,15,2 PDNS3D,3200,3200.0,3200.0,3200.0,6400,29,32510.9,1.0,17894.1,1.3,2,1 CASINO,128,512.0,512.0,1024.0,1280,536,27899.0,0.8,14489.6,1.0,6,2 3DNS,10944,50217.0,50217.0,50217.0,50217,33,27507.9,0.8,11430.6,0.8,1,1 SENGA,1,1024.0,3840.0,7680.0,7680,248,21381.7,0.6,11116.3,0.8,5,2 Nek5000,1024,1280.0,2560.0,4096.0,4096,63,18786.6,0.6,8909.9,0.6,3,2 R-matrix,4000,10000.0,10000.0,10000.0,40000,22,18449.1,0.6,795.5,0.1,1,1 ChemShell,1,320.0,384.0,384.0,1536,543,18291.1,0.6,7502.4,0.5,9,2 NAMD,128,512.0,1600.0,1600.0,3200,2612,16030.5,0.5,6421.3,0.5,7,4 Code_Saturne,1,4096.0,7040.0,7040.0,32768,535,15712.5,0.5,7678.7,0.5,7,4 FHI aims,1,512.0,1024.0,2048.0,5120,3609,12702.9,0.4,6003.9,0.4,12,2 Quantum Espresso,1,180.0,256.0,1280.0,2560,1740,11330.3,0.3,5344.5,0.4,20,4 HYDRA,1,2560.0,2560.0,2560.0,16384,2783,8855.8,0.3,3739.7,0.3,8,5 SIESTA,8,960.0,960.0,1280.0,1920,104,8551.1,0.3,1096.4,0.1,9,2 CPMD,32,256.0,256.0,384.0,512,240,8069.1,0.2,4023.5,0.3,2,1 a.out,1,1280.0,3256.0,13428.0,16384,854,7993.4,0.2,3758.6,0.3,14,11 RMT,116,2432.0,2688.0,2944.0,8704,707,7267.6,0.2,3412.0,0.2,5,1 DL_POLY,1,1280.0,1280.0,1280.0,1280,180,5563.2,0.2,2868.4,0.2,3,2 GPAW,32,512.0,512.0,512.0,768,1214,2768.9,0.1,1332.6,0.1,2,1 HANDE,32,320.0,320.0,320.0,320,32,2485.2,0.1,616.8,0.0,1,1 HemeLB,3328,3328.0,3328.0,3328.0,6400,25,2066.6,0.1,1004.5,0.1,1,1 NWChem,80,256.0,384.0,384.0,512,7133,1924.5,0.1,971.5,0.1,8,5 EPOCH,128,512.0,1280.0,3840.0,3840,288,1490.8,0.0,767.1,0.1,4,2 DL_MESO,32,128.0,128.0,128.0,128,257,1449.4,0.0,733.4,0.1,1,1 Zacros,1,25600.0,25600.0,25600.0,25600,45,1151.3,0.0,444.6,0.0,3,3 ptau3d,48,160.0,160.0,160.0,160,11,994.3,0.0,483.6,0.0,1,1 FVCOM,1,512.0,512.0,512.0,512,99,676.1,0.0,340.1,0.0,2,1 TPLS,1,256.0,256.0,512.0,512,82,669.5,0.0,331.7,0.0,4,3 WRF,72,1024.0,1024.0,1024.0,1280,161,368.6,0.0,191.4,0.0,3,2 Smilei,1,128.0,128.0,128.0,8192,31,336.9,0.0,155.7,0.0,2,1 Amber,128,128.0,128.0,128.0,128,4975,157.0,0.0,77.9,0.0,1,1 AxiSEM3D,64,128.0,128.0,128.0,16384,13,52.4,0.0,26.1,0.0,1,1 Arm Forge,1,512.0,640.0,4096.0,4096,109,24.1,0.0,8.9,0.0,11,10