mirror of https://github.com/lammps/lammps.git
164 lines
8.2 KiB
Groff
164 lines
8.2 KiB
Groff
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LAMMPS (5 Oct 2016)
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# 2d SRD only test
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units lj
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atom_style atomic
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atom_modify first empty
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dimension 2
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# create box with big lattice
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lattice sq 0.4
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Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
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region box block 0 10 0 10 -0.5 0.5
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create_box 1 box
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Created orthogonal box = (0 0 -0.790569) to (15.8114 15.8114 0.790569)
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1 by 1 by 1 MPI processor grid
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# add SRD particles as hi density lattice
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lattice sq 0.4
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Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
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region plane block 0 10 0 10 -0.001 0.001
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lattice sq 85.0
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Lattice spacing in x,y,z = 0.108465 0.108465 0.108465
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create_atoms 1 region plane
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Created 21316 atoms
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group empty type 2
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0 atoms in group empty
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mass 1 0.01
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velocity all create 1.0 593849 loop geom
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# settings - need dummy empty group to enable no communication
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neighbor 0.3 bin
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neigh_modify delay 1 every 1 check no
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comm_modify group empty
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# timestep is big and SRD frequency is 1
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timestep 0.02
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fix 1 all srd 1 NULL 1.0 0.25 49894 collision slip
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fix 2 all enforce2d
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# diagnostics
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thermo_style custom step temp f_1[7] etotal press f_1[3] f_1[4] f_1[6]
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thermo 100
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#dump 1 all atom 250 dump.srd.pure
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#dump 2 all image 250 image.*.jpg type type zoom 1.6 adiam 0.2
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#dump_modify 2 pad 4
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#dump 3 all movie 250 movie.mpg type type zoom 1.6 adiam 0.2
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#dump_modify 3 pad 4
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run 5000
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SRD info:
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SRD/big particles = 21316 0
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big particle diameter max/min = 0 1e+20
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SRD temperature & lamda = 1 0.2
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SRD max distance & max velocity = 0.8 40
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SRD grid counts: 63 63 1
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SRD grid size: request, actual (xyz) = 0.25, 0.250974 0.250974 1.58114
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SRD per actual grid cell = 5.37062
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SRD viscosity = 0.439647
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big/SRD mass density ratio = 0
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# of rescaled SRD velocities = 0
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ave/max all velocity = 13.2735 24.2873
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Neighbor list info ...
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0 neighbor list requests
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update every 1 steps, delay 1 steps, check no
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 0
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ghost atom cutoff = 0
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binsize = 15.8114 -> bins = 1 1 1
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Memory usage per processor = 5.16355 Mbytes
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Step Temp f_1[7] TotEng Press f_1[3] f_1[4] f_1[6]
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0 1 0 0.99995309 85.26 0 0 0
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100 0.97820615 3969 0.97816026 83.401857 0 0 0
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200 0.9609326 3969 0.96088752 81.929113 0 0 0
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300 0.94460302 3969 0.9445587 80.536853 0 0 0
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400 0.93098293 3969 0.93093925 79.375605 0 0 0
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500 0.91803208 3969 0.91798901 78.271415 0 0 0
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600 0.90779378 3969 0.90775119 77.398497 0 0 0
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700 0.89695247 3969 0.89691039 76.474168 0 0 0
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800 0.88637078 3969 0.88632919 75.571972 0 0 0
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900 0.87833669 3969 0.87829548 74.886986 0 0 0
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1000 0.87030089 3969 0.87026006 74.201854 0 0 0
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1100 0.86318709 3969 0.86314659 73.595331 0 0 0
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1200 0.85736665 3969 0.85732643 73.099081 0 0 0
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1300 0.85147901 3969 0.85143906 72.5971 0 0 0
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1400 0.84496088 3969 0.84492124 72.041365 0 0 0
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1500 0.83857476 3969 0.83853542 71.496884 0 0 0
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1600 0.8336916 3969 0.83365249 71.080546 0 0 0
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1700 0.82954371 3969 0.8295048 70.726897 0 0 0
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1800 0.82570979 3969 0.82567105 70.400016 0 0 0
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1900 0.82189413 3969 0.82185557 70.074693 0 0 0
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2000 0.81818525 3969 0.81814687 69.758475 0 0 0
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2100 0.81436257 3969 0.81432436 69.432552 0 0 0
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2200 0.80997949 3969 0.80994149 69.058851 0 0 0
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2300 0.80685831 3969 0.80682045 68.792739 0 0 0
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2400 0.80374622 3969 0.80370851 68.527402 0 0 0
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2500 0.80103773 3969 0.80100015 68.296477 0 0 0
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2600 0.79858358 3969 0.79854611 68.087236 0 0 0
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2700 0.79617295 3969 0.7961356 67.881706 0 0 0
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2800 0.79312496 3969 0.79308775 67.621834 0 0 0
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2900 0.79126456 3969 0.79122744 67.463216 0 0 0
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3000 0.78897033 3969 0.78893331 67.26761 0 0 0
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3100 0.78632296 3969 0.78628607 67.041895 0 0 0
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3200 0.78442284 3969 0.78438604 66.879892 0 0 0
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3300 0.78168316 3969 0.78164649 66.646306 0 0 0
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3400 0.7788658 3969 0.77882926 66.406098 0 0 0
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3500 0.77703408 3969 0.77699762 66.249925 0 0 0
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3600 0.77441139 3969 0.77437506 66.026315 0 0 0
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3700 0.7723528 3969 0.77231656 65.850799 0 0 0
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3800 0.77019626 3969 0.77016013 65.666933 0 0 0
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3900 0.76835687 3969 0.76832082 65.510107 0 0 0
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4000 0.76701071 3969 0.76697473 65.395333 0 0 0
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4100 0.76552115 3969 0.76548523 65.268333 0 0 0
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4200 0.76360426 3969 0.76356843 65.104899 0 0 0
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4300 0.76173186 3969 0.76169613 64.945259 0 0 0
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4400 0.75933463 3969 0.759299 64.74087 0 0 0
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4500 0.75806391 3969 0.75802835 64.632529 0 0 0
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4600 0.75692832 3969 0.75689281 64.535709 0 0 0
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4700 0.75569109 3969 0.75565564 64.430222 0 0 0
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4800 0.75446697 3969 0.75443157 64.325854 0 0 0
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4900 0.75276753 3969 0.75273221 64.180959 0 0 0
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5000 0.75113693 3969 0.75110169 64.041935 0 0 0
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Loop time of 8.07858 on 1 procs for 5000 steps with 21316 atoms
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Performance: 1069494.899 tau/day, 618.921 timesteps/s
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99.9% CPU use with 1 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0 | 0 | 0 | 0.0 | 0.00
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Neigh | 0.00082159 | 0.00082159 | 0.00082159 | 0.0 | 0.01
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Comm | 0.38133 | 0.38133 | 0.38133 | 0.0 | 4.72
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Output | 0.0034697 | 0.0034697 | 0.0034697 | 0.0 | 0.04
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Modify | 6.265 | 6.265 | 6.265 | 0.0 | 77.55
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Other | | 1.428 | | | 17.68
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Nlocal: 21316 ave 21316 max 21316 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 0
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Ave neighs/atom = 0
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Neighbor list builds = 5000
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Dangerous builds not checked
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Please see the log.cite file for references relevant to this simulation
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Total wall time: 0:00:08
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