Batch System: grid_engine Default Cores: 6 Default Memory: 2097152K Max Cores: 9.22337e+18 Total Clock: 1198.70 Total Runtime: 7336.16 Worker Count | Time* | Clock | Wait | Memory n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total 33 | 0.00 2.16 110.01 2724.28 3630.20 | 0.00 1.27 3243.89 86729.73 107048.26 | -84005.45 -0.00 -3133.88 7.66 -103418.07 | 54012K 251856K 183943K 480048K6070124K Job Worker Jobs | min med ave max | 18 18 18 18 Count | Time* | Clock | Wait | Memory n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total 18 | 0.06 6.05 200.03 2722.34 3600.58 | 0.02 1.32 5946.15 86728.59 107030.70 | -84006.25 0.53 -5746.12 6.85 -103430.12 | 104872K 254208K 279161K 480048K5024904K ResolveIndirect Count | Time* | Clock | Wait | Memory n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total 1 | 0.06 0.06 0.06 0.06 0.06 | 0.02 0.02 0.02 0.02 0.02 | 0.03 0.03 0.03 0.03 0.03 | 316596K 316596K 316596K 316596K 316596K file:///net/scratch2/mbessdl2/BioExcel/biobb_hpc_cwl_workflows/biobb/biobb_adapters/cwl/biobb_md/gromacs/make_ndx.cwl Count | Time* | Clock | Wait | Memory n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total 1 | 0.80 0.80 0.80 0.80 0.80 | 0.63 0.63 0.63 0.63 0.63 | 0.16 0.16 0.16 0.16 0.16 | 255260K 255260K 255260K 255260K 255260K file:///net/scratch2/mbessdl2/BioExcel/biobb_hpc_cwl_workflows/md_gather.cwl Count | Time* | Clock | Wait | Memory n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total 1 | 1.06 1.06 1.06 1.06 1.06 | 0.79 0.79 0.79 0.79 0.79 | 0.27 0.27 0.27 0.27 0.27 | 104872K 104872K 104872K 104872K 104872K file:///net/scratch2/mbessdl2/BioExcel/biobb_hpc_cwl_workflows/biobb/biobb_adapters/cwl/biobb_md/gromacs/solvate.cwl Count | Time* | Clock | Wait | Memory n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total 1 | 1.55 1.55 1.55 1.55 1.55 | 1.35 1.35 1.35 1.35 1.35 | 0.20 0.20 0.20 0.20 0.20 | 248500K 248500K 248500K 248500K 248500K CWLWorkflow Count | Time* | Clock | Wait | Memory n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total 2 | 3.77 4.32 4.05 4.32 8.09 | 3.24 3.42 3.33 3.42 6.66 | 0.53 0.90 0.72 0.90 1.43 | 436984K 480048K 458516K 480048K 917032K file:///net/scratch2/mbessdl2/BioExcel/biobb_hpc_cwl_workflows/biobb/biobb_adapters/cwl/biobb_md/gromacs/grompp.cwl Count | Time* | Clock | Wait | Memory n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total 5 | 1.08 5.99 4.99 6.44 24.97 | 0.88 1.31 1.18 1.54 5.92 | 0.21 4.68 3.81 4.91 19.05 | 252156K 253180K 253470K 254956K1267352K file:///net/scratch2/mbessdl2/BioExcel/biobb_hpc_cwl_workflows/biobb/biobb_adapters/cwl/biobb_md/gromacs/genion.cwl Count | Time* | Clock | Wait | Memory n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total 1 | 6.05 6.05 6.05 6.05 6.05 | 0.93 0.93 0.93 0.93 0.93 | 5.12 5.12 5.12 5.12 5.12 | 252016K 252016K 252016K 252016K 252016K file:///net/scratch2/mbessdl2/BioExcel/biobb_hpc_cwl_workflows/biobb/biobb_adapters/cwl/biobb_md/gromacs/editconf.cwl Count | Time* | Clock | Wait | Memory n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total 1 | 6.11 6.11 6.11 6.11 6.11 | 0.55 0.55 0.55 0.55 0.55 | 5.56 5.56 5.56 5.56 5.56 | 253836K 253836K 253836K 253836K 253836K file:///net/scratch2/mbessdl2/BioExcel/biobb_hpc_cwl_workflows/biobb/biobb_adapters/cwl/biobb_md/gromacs/pdb2gmx.cwl Count | Time* | Clock | Wait | Memory n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total 1 | 8.09 8.09 8.09 8.09 8.09 | 1.25 1.25 1.25 1.25 1.25 | 6.85 6.85 6.85 6.85 6.85 | 251856K 251856K 251856K 251856K 251856K file:///net/scratch2/mbessdl2/BioExcel/biobb_hpc_cwl_workflows/biobb/biobb_adapters/cwl/biobb_md/gromacs/mdrun.cwl Count | Time* | Clock | Wait | Memory n | min med* ave max total | min med ave max total | min med ave max total | min med ave max total 4 | 24.19 529.84 885.95 2722.34 3543.80 | 729.63 15626.50 26753.15 86728.59 107012.59 | -84006.25 -3660.45 -25867.20 -705.44 -103468.79 | 252592K 303872K 289396K 323568K1157584K