Software,Min,Q1,Median,Q3,Max,Jobs,Nodeh,PercentUse,kWh,PercentEnergy
Overall,1,512.0,2560.0,7680.0,524288,1006093,3450409.5,100.0,1458287.4,100.0
VASP,1,640.0,3840.0,8192.0,55296,64650,884730.1,25.6,381943.4,26.2
Unidentified,1,512.0,1600.0,19200.0,262144,313357,700688.5,20.3,270956.7,18.6
GROMACS,1,2048.0,2560.0,4096.0,8192,11918,237335.5,6.9,114474.2,7.8
CP2K,1,256.0,640.0,1024.0,16384,26527,207423.3,6.0,81726.4,5.6
CASTEP,4,512.0,640.0,2560.0,4608,329432,139468.3,4.0,55224.0,3.8
SENGA,512,5760.0,5760.0,5760.0,7680,105,110031.9,3.2,51051.6,3.5
NEMO,1,5760.0,9000.0,9984.0,12360,35495,97846.5,2.8,43546.0,3.0
Xcompact3d,1,12288.0,16384.0,16384.0,524288,1112,97612.9,2.8,38887.5,2.7
Nektar++,10,6144.0,6144.0,10240.0,51200,1416,91555.2,2.7,42583.2,2.9
LAMMPS,1,256.0,512.0,2048.0,131072,7599,86551.9,2.5,37443.6,2.6
Met Office UM,2,576.0,6464.0,6464.0,6464,6770,84619.8,2.5,29409.3,2.0
ONETEP,1,160.0,200.0,240.0,512,3918,80921.1,2.3,34148.3,2.3
CRYSTAL,1,512.0,512.0,512.0,2048,1296,80825.0,2.3,29105.8,2.0
PDNS3D,3200,6400.0,16000.0,64000.0,64000,41,72562.7,2.1,36186.0,2.5
ChemShell,1,336.0,336.0,1024.0,1536,1269,55339.2,1.6,20871.1,1.4
iIMB,128,4224.0,7680.0,7680.0,10368,124,53534.2,1.6,26070.1,1.8
Python,1,2048.0,7680.0,7680.0,16384,135379,50627.4,1.5,22836.1,1.6
GPAW,1,128.0,128.0,128.0,1024,23359,44793.0,1.3,22001.4,1.5
OpenFOAM,1,288.0,512.0,640.0,6400,1660,44529.2,1.3,19415.2,1.3
a.out,1,1024.0,1024.0,2048.0,26722,644,35353.9,1.0,17615.9,1.2
CASINO,128,512.0,512.0,512.0,2560,491,24407.4,0.7,12566.0,0.9
Nek5000,640,1280.0,1280.0,2560.0,5120,98,21305.9,0.6,11113.5,0.8
FHI aims,1,256.0,512.0,1024.0,8192,7523,20851.8,0.6,9561.3,0.7
MITgcm,2,240.0,354.0,378.0,2048,14550,20384.7,0.6,9622.7,0.7
GS2,1,4096.0,8192.0,16384.0,65536,824,18478.6,0.5,3858.3,0.3
Code_Saturne,256,1536.0,1536.0,8960.0,32768,54,14247.1,0.4,5061.2,0.3
Quantum Espresso,5,128.0,512.0,3456.0,3456,3300,13920.4,0.4,6564.5,0.5
RMT,1,1792.0,3072.0,8704.0,17024,309,13220.6,0.4,6364.7,0.4
3DNS,10944,10944.0,30512.0,30512.0,30512,21,11722.2,0.3,4959.1,0.3
EPOCH,128,1024.0,1024.0,2048.0,8192,756,8992.6,0.3,4011.9,0.3
NWChem,2,336.0,512.0,512.0,1024,7723,8401.2,0.2,2616.0,0.2
NAMD,8,512.0,512.0,1600.0,1600,252,7203.8,0.2,2834.2,0.2
SIESTA,8,960.0,960.0,960.0,2560,190,3914.3,0.1,336.7,0.0
CPMD,128,256.0,256.0,512.0,1024,36,1650.2,0.0,822.1,0.1
HemeLB,128,128.0,768.0,768.0,768,23,1354.0,0.0,715.6,0.0
TPLS,128,512.0,512.0,512.0,2048,38,1259.9,0.0,664.3,0.0
Smilei,1,1024.0,1024.0,1024.0,2048,42,949.3,0.0,348.9,0.0
DL_POLY,1280,1280.0,1280.0,1280.0,1280,28,758.3,0.0,391.7,0.0
AxiSEM3D,128,8000.0,8192.0,8192.0,32000,17,551.9,0.0,157.8,0.0
ptau3d,160,160.0,160.0,160.0,160,1,422.1,0.0,194.1,0.0
FVCOM,1,256.0,256.0,256.0,256,7,18.2,0.0,9.7,0.0
HANDE,1,1.0,1.0,1.0,64,74,18.0,0.0,6.3,0.0
WRF,72,72.0,72.0,72.0,72,1,15.7,0.0,6.7,0.0
Amber,100,100.0,100.0,100.0,100,250,4.4,0.0,0.8,0.0
OSIRIS,64,128.0,512.0,512.0,512,28,4.2,0.0,1.9,0.0
HYDRA,1,1.0,1.0,1.0,2,2833,3.0,0.0,1.5,0.0
UKRmol+,1,1.0,2.0,2.0,2,526,0.0,0.0,0.0,0.0
Zacros,64,64.0,64.0,64.0,64,2,0.0,0.0,0.0,0.0
CloverLeaf,1,8.0,128.0,128.0,128,25,0.0,0.0,0.0,0.0