TACC: Starting up job 6244973 TACC: Setting up parallel environment for MVAPICH2+mpispawn. TACC: Starting parallel tasks... Charmrun> started all node programs in 2.334 seconds. Charmrun> scalable start enabled. Charmrun> IBVERBS version of charmrun Converse/Charm++ Commit ID: v6.7.0-0-g46f867c-namd-charm-6.7.0-build-2015-Dec-21-45876 Warning> Randomization of stack pointer is turned on in kernel, thread migration may not work! Run 'echo 0 > /proc/sys/kernel/randomize_va_space' as root to disable it, or try run with '+isomalloc_sync'. Charm++> scheduler running in netpoll mode. CharmLB> Load balancer assumes all CPUs are same. Charm++> cpu affinity enabled. Charm++> cpuaffinity PE-core map : 1-15 Charm++> set comm 0 on node 0 to core #0 Charm++> Running on 1 unique compute nodes (16-way SMP). Charm++> cpu topology info is gathered in 0.011 seconds. Info: Built with CUDA version 6050 Pe 10 physical rank 10 will use CUDA device of pe 8 Pe 13 physical rank 13 will use CUDA device of pe 8 Pe 11 physical rank 11 will use CUDA device of pe 8 Pe 2 physical rank 2 will use CUDA device of pe 8 Pe 7 physical rank 7 will use CUDA device of pe 8 Pe 3 physical rank 3 will use CUDA device of pe 8 Pe 4 physical rank 4 will use CUDA device of pe 8 Pe 1 physical rank 1 will use CUDA device of pe 8 Pe 12 physical rank 12 will use CUDA device of pe 8 Pe 5 physical rank 5 will use CUDA device of pe 8 Pe 0 physical rank 0 will use CUDA device of pe 8 Pe 14 physical rank 14 will use CUDA device of pe 8 Pe 9 physical rank 9 will use CUDA device of pe 8 Pe 6 physical rank 6 will use CUDA device of pe 8 Pe 8 physical rank 8 binding to CUDA device 0 on c557-101.stampede.tacc.utexas.edu: 'Tesla K20m' Mem: 4799MB Rev: 3.5 Info: NAMD 2.11 for Linux-x86_64-ibverbs-smp-Stampede-CUDA-memopt Warning: Warning: *** EXPERIMENTAL MEMORY OPTIMIZED VERSION *** Warning: Info: Info: Please visit http://www.ks.uiuc.edu/Research/namd/ Info: for updates, documentation, and support information. Info: Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005) Info: in all publications reporting results obtained with NAMD. Info: Info: Based on Charm++/Converse 60700 for net-linux-x86_64-ibverbs-smp-iccstatic Info: Built Mon Dec 21 10:39:37 CST 2015 by tg455591 on login4.stampede.tacc.utexas.edu Info: 1 NAMD 2.11 Linux-x86_64-ibverbs-smp-Stampede-CUDA-memopt 15 c557-101.stampede.tacc.utexas.edu tg455591 Info: Running on 15 processors, 1 nodes, 1 physical nodes. Info: CPU topology information available. Info: Charm++/Converse parallel runtime startup completed at 1.55348 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 111.031 MB of memory in use based on /proc/self/stat Info: Configuration file is /work/00288/tg455591/stmv/stmv2fs.namd Info: Changed directory to /work/00288/tg455591/stmv TCL: Suspending until startup complete. Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 1200 Info: STEPS PER CYCLE 24 Info: PERIODIC CELL BASIS 1 216.832 0 0 Info: PERIODIC CELL BASIS 2 0 216.832 0 Info: PERIODIC CELL BASIS 3 0 0 216.832 Info: PERIODIC CELL CENTER 0 0 0 Info: LOAD BALANCER Centralized Info: LOAD BALANCING STRATEGY New Load Balancers -- DEFAULT Info: LDB PERIOD 4800 steps Info: FIRST LDB TIMESTEP 120 Info: LAST LDB TIMESTEP -1 Info: LDB BACKGROUND SCALING 1 Info: HOM BACKGROUND SCALING 1 Info: PME BACKGROUND SCALING 1 Info: MIN ATOMS PER PATCH 40 Info: INITIAL TEMPERATURE 298 Info: CENTER OF MASS MOVING INITIALLY? NO Info: DIELECTRIC 1 Info: EXCLUDE SCALED ONE-FOUR Info: 1-4 ELECTROSTATICS SCALED BY 1 Info: MODIFIED 1-4 VDW PARAMETERS WILL BE USED Info: NO DCD TRAJECTORY OUTPUT Info: NO EXTENDED SYSTEM TRAJECTORY OUTPUT Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME /scratch/00288/tg455591/stmv-output Info: BINARY OUTPUT FILES WILL BE USED Info: NO RESTART FILE Info: SWITCHING ACTIVE Info: SWITCHING ON 10 Info: SWITCHING OFF 12 Info: PAIRLIST DISTANCE 13.5 Info: PAIRLIST SHRINK RATE 0.01 Info: PAIRLIST GROW RATE 0.01 Info: PAIRLIST TRIGGER 0.3 Info: PAIRLISTS PER CYCLE 4 Info: PAIRLISTS ENABLED Info: MARGIN 0.48 Info: HYDROGEN GROUP CUTOFF 2.5 Info: PATCH DIMENSION 16.48 Info: ENERGY OUTPUT STEPS 120 Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL Info: TIMING OUTPUT STEPS 120 Info: LANGEVIN DYNAMICS ACTIVE Info: LANGEVIN TEMPERATURE 298 Info: LANGEVIN USING BBK INTEGRATOR Info: LANGEVIN DAMPING COEFFICIENT IS 5 INVERSE PS Info: LANGEVIN DYNAMICS NOT APPLIED TO HYDROGENS Info: LANGEVIN PISTON PRESSURE CONTROL ACTIVE Info: TARGET PRESSURE IS 1.01325 BAR Info: OSCILLATION PERIOD IS 100 FS Info: DECAY TIME IS 50 FS Info: PISTON TEMPERATURE IS 298 K Info: PRESSURE CONTROL IS GROUP-BASED Info: INITIAL STRAIN RATE IS 0 0 0 Info: CELL FLUCTUATION IS ISOTROPIC Info: PARTICLE MESH EWALD (PME) ACTIVE Info: PME TOLERANCE 1e-06 Info: PME EWALD COEFFICIENT 0.257952 Info: PME INTERPOLATION ORDER 4 Info: PME GRID DIMENSIONS 216 216 216 Info: PME MAXIMUM GRID SPACING 1.5 Info: FULL ELECTROSTATIC EVALUATION FREQUENCY 3 Info: USING VERLET I (r-RESPA) MTS SCHEME. Info: C1 SPLITTING OF LONG RANGE ELECTROSTATICS Info: PLACING ATOMS IN PATCHES BY HYDROGEN GROUPS Info: RIGID BONDS TO HYDROGEN : ALL Info: ERROR TOLERANCE : 1e-08 Info: MAX ITERATIONS : 100 Info: RIGID WATER USING SETTLE ALGORITHM Info: RANDOM NUMBER SEED 1450737430 Info: USE HYDROGEN BONDS? NO Info: STRUCTURE FILE stmv.psf.inter Info: PARAMETER file: CHARMM format! Info: PARAMETERS par_all27_prot_na.inp Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS Info: BINARY COORDINATES stmv.coor Info: SUMMARY OF PARAMETERS: Info: 250 BONDS Info: 622 ANGLES Info: 1049 DIHEDRAL Info: 73 IMPROPER Info: 0 CROSSTERM Info: 130 VDW Info: 0 VDW_PAIRS Info: 0 NBTHOLE_PAIRS Info: TIME FOR READING PSF FILE: 0.00796103 Info: Info: Entering startup at 1.64038 s, 126.496 MB of memory in use Info: Startup phase 0 took 0.00137186 s, 126.52 MB of memory in use Warning: an empty exclusion signature with index 709! Info: Startup phase 1 took 0.00320411 s, 126.625 MB of memory in use Info: NONBONDED TABLE R-SQUARED SPACING: 0.0625 Info: NONBONDED TABLE SIZE: 769 POINTS Info: INCONSISTENCY IN FAST TABLE ENERGY VS FORCE: 0.000325096 AT 11.9556 Info: INCONSISTENCY IN SCOR TABLE ENERGY VS FORCE: 0.000324844 AT 11.9556 Info: ABSOLUTE IMPRECISION IN VDWA TABLE ENERGY: 4.59334e-32 AT 11.9974 Info: RELATIVE IMPRECISION IN VDWA TABLE ENERGY: 7.4108e-17 AT 11.9974 Info: INCONSISTENCY IN VDWA TABLE ENERGY VS FORCE: 0.0040507 AT 0.251946 Info: ABSOLUTE IMPRECISION IN VDWB TABLE ENERGY: 1.53481e-26 AT 11.9974 Info: RELATIVE IMPRECISION IN VDWB TABLE ENERGY: 7.96691e-18 AT 11.9974 Info: INCONSISTENCY IN VDWB TABLE ENERGY VS FORCE: 0.00150189 AT 0.251946 Info: Running with 2 input processors. Info: Running with 1 output processors (1 of them will output simultaneously). Info: INPUT PROC LOCATIONS: 4 12 Info: OUTPUT PROC LOCATIONS: 8 Info: Updated CUDA LJ table with 130 x 130 elements. Info: Updated CUDA force table with 4096 elements. Info: Startup phase 2 took 0.163425 s, 351.125 MB of memory in use Info: Startup phase 3 took 0.144435 s, 351.398 MB of memory in use Info: PATCH GRID IS 13 (PERIODIC) BY 13 (PERIODIC) BY 13 (PERIODIC) Info: PATCH GRID IS 1-AWAY BY 1-AWAY BY 1-AWAY Info: LOADED 1810196 TOTAL EXCLUSIONS Info: REMOVING COM VELOCITY 0.0028468 -0.0109177 -0.00260883 Info: Startup phase 4 took 0.0344012 s, 472.516 MB of memory in use Info: **************************** Info: STRUCTURE SUMMARY: Info: 1066628 ATOMS Info: 769956 BONDS Info: 605872 ANGLES Info: 450875 DIHEDRALS Info: 24578 IMPROPERS Info: 0 CROSSTERMS Info: 0 EXCLUSIONS Info: 977416 RIGID BONDS Info: 2222468 DEGREES OF FREEDOM Info: 389067 HYDROGEN GROUPS Info: 4 ATOMS IN LARGEST HYDROGEN GROUP Info: 389067 MIGRATION GROUPS Info: 4 ATOMS IN LARGEST MIGRATION GROUP Info: TOTAL MASS = 6.69877e+06 amu Info: TOTAL CHARGE = 0.000168104 e Info: MASS DENSITY = 1.09115 g/cm^3 Info: ATOM DENSITY = 0.104627 atoms/A^3 Info: ***************************** Info: LARGEST PATCH (1044) HAS 541 ATOMS Info: Startup phase 5 took 0.0599759 s, 478.738 MB of memory in use Info: TORUS A SIZE 15 USING 0 Info: TORUS B SIZE 1 USING 0 Info: TORUS C SIZE 1 USING 0 Info: TORUS MINIMAL MESH SIZE IS 1 BY 1 BY 1 Info: Placed 100% of base nodes on same physical node as patch Info: Startup phase 6 took 0.0103521 s, 487.844 MB of memory in use Info: PME using 15 and 15 processors for FFT and reciprocal sum. Info: PME GRID LOCATIONS: 0 1 2 3 4 5 6 7 8 9 ... Info: PME TRANS LOCATIONS: 0 1 2 3 4 5 6 7 8 9 ... Info: PME USING 1 GRID NODES AND 1 TRANS NODES Info: Optimizing 4 FFT steps. 1... 2... 3... 4... Done. Info: Startup phase 7 took 0.164334 s, 654.609 MB of memory in use Info: Startup phase 8 took 0.00767016 s, 655.078 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 0.00683188 s, 638.23 MB of memory in use Info: CREATING 46242 COMPUTE OBJECTS CUDA device 0 stream priority range 0 -1 Info: Found 333 unique exclusion lists needing 1076 bytes Pe 4 hosts 0 local and 147 remote patches for pe 8 Pe 12 hosts 0 local and 146 remote patches for pe 8 Pe 8 hosts 0 local and 146 remote patches for pe 8 Pe 0 hosts 0 local and 147 remote patches for pe 8 Pe 6 hosts 0 local and 145 remote patches for pe 8 Pe 3 hosts 0 local and 146 remote patches for pe 8 Pe 11 hosts 0 local and 146 remote patches for pe 8 Pe 10 hosts 0 local and 146 remote patches for pe 8 Pe 5 hosts 0 local and 146 remote patches for pe 8 Pe 9 hosts 0 local and 146 remote patches for pe 8 Pe 2 hosts 0 local and 147 remote patches for pe 8 Pe 13 hosts 0 local and 147 remote patches for pe 8 Pe 7 hosts 0 local and 147 remote patches for pe 8 Pe 14 hosts 0 local and 148 remote patches for pe 8 Pe 1 hosts 0 local and 147 remote patches for pe 8 Info: useSync: 0 useProxySync: 0 Info: Startup phase 10 took 0.190866 s, 714.145 MB of memory in use Info: Startup phase 11 took 0.00058198 s, 714.148 MB of memory in use Info: Startup phase 12 took 0.015012 s, 721.77 MB of memory in use Info: Finished startup at 2.44284 s, 721.84 MB of memory in use Pe 8 has 0 local and 2197 remote patches and 0 local and 30758 remote computes. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 37737.0490 105740.7918 81950.2970 4986.4950 -4134759.2838 375590.1066 0.0000 0.0000 658152.7780 -2870601.7664 298.0448 -3528754.5444 -2868043.0767 298.0448 2251.9990 2339.8209 10194598.5131 2251.9990 2339.8209 LDB: ============= START OF LOAD BALANCING ============== 8.32824 LDB: ============== END OF LOAD BALANCING =============== 8.33668 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8.33876 LDB: ============= START OF LOAD BALANCING ============== 28.7046 LDB: Largest compute 40633 load 0.023556 is 0.3% of average load 8.242599 LDB: Average compute 0.002257 is 0.0% of average load 8.242599 LDB: Partitioning computes with target load 0.824260 LDB: Increased migratable compute count from 13182 to 13182 LDB: Largest unpartitionable compute is 0.023556 LDB: ============== END OF LOAD BALANCING =============== 28.7228 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 28.729 Info: Initial time: 15 CPUs 0.215213 s/step 1.24544 days/ns 2413.75 MB memory TIMING: 120 CPU: 25.5541, 0.20901/step Wall: 26.8732, 0.215508/step, 0.0646523 hours remaining, 2413.746094 MB of memory in use. ENERGY: 120 39306.1039 107212.5891 81964.8708 5239.2733 -4025417.4173 295261.3492 0.0000 0.0000 642295.7277 -2854137.5033 290.8640 -3496433.2310 -2851626.0840 290.0534 -77.9378 -2.0579 10357270.9541 -2.0040 -0.9600 LDB: ============= START OF LOAD BALANCING ============== 33.8438 LDB: ============== END OF LOAD BALANCING =============== 33.844 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 33.8461 LDB: ============= START OF LOAD BALANCING ============== 54.0266 LDB: Largest compute 40713 load 0.023570 is 0.3% of average load 8.204270 LDB: Average compute 0.002259 is 0.0% of average load 8.204270 LDB: TIME 54.0406 LOAD: AVG 8.20427 MAX 9.99921 PROXIES: TOTAL 2315 MAXPE 176 MAXPATCH 3 None MEM: 2459.91 MB LDB: TIME 54.0465 LOAD: AVG 8.20427 MAX 9.4392 PROXIES: TOTAL 2315 MAXPE 176 MAXPATCH 3 TorusLB MEM: 2459.92 MB LDB: ============== END OF LOAD BALANCING =============== 54.0559 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 54.067 Info: Initial time: 15 CPUs 0.210784 s/step 1.21982 days/ns 2476.84 MB memory TIMING: 240 CPU: 50.2634, 0.20591/step Wall: 52.2106, 0.211145/step, 0.0563054 hours remaining, 2476.843750 MB of memory in use. ENERGY: 240 39033.3318 107630.6196 81878.7175 5068.1036 -4013772.7352 291560.4204 0.0000 0.0000 644821.3279 -2843780.2144 292.0077 -3488601.5422 -2841211.7358 291.7294 2.2375 75.0862 10348236.3566 1.9194 1.9912 LDB: ============= START OF LOAD BALANCING ============== 79.3407 LDB: Largest compute 41413 load 0.029482 is 0.3% of average load 10.365773 LDB: Average compute 0.002855 is 0.0% of average load 10.365773 LDB: TIME 79.3545 LOAD: AVG 10.3658 MAX 11.9297 PROXIES: TOTAL 2315 MAXPE 176 MAXPATCH 3 None MEM: 2754.22 MB LDB: TIME 79.3559 LOAD: AVG 10.3658 MAX 11.9297 PROXIES: TOTAL 2315 MAXPE 176 MAXPATCH 3 RefineTorusLB MEM: 2754.22 MB LDB: TIME 79.4881 LOAD: AVG 10.3658 MAX 10.4812 PROXIES: TOTAL 2616 MAXPE 281 MAXPATCH 4 RefineTorusLB MEM: 2754.22 MB LDB: ============== END OF LOAD BALANCING =============== 79.4934 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 79.5012 Info: Initial time: 15 CPUs 0.210615 s/step 1.21884 days/ns 2781.88 MB memory TIMING: 360 CPU: 75.0886, 0.206877/step Wall: 77.6453, 0.211956/step, 0.0494563 hours remaining, 2781.878906 MB of memory in use. ENERGY: 360 39111.8282 107056.9947 82069.5687 5143.5878 -4004307.6691 287885.8105 0.0000 0.0000 647022.1017 -2836017.7774 293.0043 -3483039.8792 -2833459.4432 292.7849 -93.1957 -14.9045 10351387.5578 2.3458 2.3004 LDB: ============= START OF LOAD BALANCING ============== 104.84 LDB: Largest compute 41413 load 0.029302 is 0.3% of average load 10.460697 LDB: Average compute 0.002858 is 0.0% of average load 10.460697 LDB: TIME 104.854 LOAD: AVG 10.4607 MAX 10.6075 PROXIES: TOTAL 2315 MAXPE 176 MAXPATCH 3 None MEM: 2878.64 MB LDB: TIME 104.855 LOAD: AVG 10.4607 MAX 10.6075 PROXIES: TOTAL 2616 MAXPE 281 MAXPATCH 4 RefineTorusLB MEM: 2878.64 MB LDB: TIME 104.857 LOAD: AVG 10.4607 MAX 10.5768 PROXIES: TOTAL 2616 MAXPE 281 MAXPATCH 4 RefineTorusLB MEM: 2878.64 MB LDB: ============== END OF LOAD BALANCING =============== 104.858 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 104.863 Info: Benchmark time: 15 CPUs 0.211158 s/step 1.22198 days/ns 2878.91 MB memory TIMING: 480 CPU: 99.9708, 0.207352/step Wall: 103.008, 0.211354/step, 0.0422708 hours remaining, 2878.910156 MB of memory in use. ENERGY: 480 38961.5500 107236.1263 81960.6677 5167.7261 -3997614.6085 285737.4077 0.0000 0.0000 648231.0367 -2830320.0940 293.5518 -3478551.1307 -2827740.2176 293.5299 -108.5821 -31.8050 10355168.3441 0.4600 0.3863 Info: Benchmark time: 15 CPUs 0.211175 s/step 1.22208 days/ns 2876.69 MB memory TIMING: 600 CPU: 124.836, 0.20721/step Wall: 128.349, 0.211177/step, 0.0351961 hours remaining, 2876.687500 MB of memory in use. ENERGY: 600 38995.1788 107289.1100 81989.7317 5201.6818 -3995445.1341 286852.0254 0.0000 0.0000 649916.0280 -2825201.3784 294.3148 -3475117.4064 -2822624.2418 293.8284 -29.0750 43.4551 10351922.2527 3.1001 2.9872 Info: Benchmark time: 15 CPUs 0.211344 s/step 1.22305 days/ns 2884.75 MB memory TIMING: 720 CPU: 149.727, 0.207427/step Wall: 153.71, 0.211345/step, 0.0281794 hours remaining, 2884.746094 MB of memory in use. ENERGY: 720 39082.9116 107154.4217 81956.7177 5085.8692 -3989395.5283 284145.4875 0.0000 0.0000 650734.3117 -2821235.8089 294.6854 -3471970.1206 -2818689.4391 294.5954 -78.7520 -2.6650 10351265.9238 -1.4517 -1.5471 Info: Benchmark time: 15 CPUs 0.210792 s/step 1.21986 days/ns 2879.86 MB memory TIMING: 840 CPU: 174.548, 0.206844/step Wall: 179.006, 0.210793/step, 0.0210793 hours remaining, 2879.859375 MB of memory in use. ENERGY: 840 39230.0838 107447.4631 82128.8443 5138.6158 -3986720.2984 282778.5973 0.0000 0.0000 653395.2562 -2816601.4379 295.8904 -3469996.6941 -2813957.6498 295.0397 -93.8173 -19.4074 10354924.7574 2.1913 2.2299 Info: Benchmark time: 15 CPUs 0.210685 s/step 1.21924 days/ns 2888.25 MB memory TIMING: 960 CPU: 199.367, 0.206819/step Wall: 204.288, 0.210687/step, 0.0140458 hours remaining, 2888.253906 MB of memory in use. ENERGY: 960 39077.9146 107071.5481 82129.5460 5099.0942 -3983633.0713 283160.1888 0.0000 0.0000 652795.7241 -2814299.0554 295.6189 -3467094.7795 -2811721.3631 295.5525 -28.2572 49.2384 10354971.3755 -0.8192 -0.7430 Info: Benchmark time: 15 CPUs 0.211611 s/step 1.2246 days/ns 2889.56 MB memory TIMING: 1080 CPU: 224.297, 0.207752/step Wall: 229.682, 0.211612/step, 0.00705374 hours remaining, 2889.558594 MB of memory in use. ENERGY: 1080 39280.7300 107725.8510 81926.7769 5152.2205 -3980216.2094 281520.4231 0.0000 0.0000 654064.5841 -2810545.6237 296.1935 -3464610.2079 -2808002.7089 296.0589 -91.2958 -17.8884 10364810.7970 1.1529 1.0575 TIMING: 1200 CPU: 249.074, 0.206477/step Wall: 254.925, 0.210367/step, 0 hours remaining, 2884.710938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1200 39162.5072 107399.9985 82017.2347 5052.4883 -3979806.4823 282453.4804 0.0000 0.0000 654622.5053 -2809098.2680 296.4461 -3463720.7732 -2806441.0963 296.4051 -66.1324 9.3504 10364703.9107 3.5072 3.4832 WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 1200 WRITING COORDINATES TO OUTPUT FILE AT STEP 1200 WRITING VELOCITIES TO OUTPUT FILE AT STEP 1200 The last position output (seq=-2) takes 0.032 seconds(file I/O: 0.032 secs), 2997.148 MB of memory in use The last velocity output (seq=-2) takes 0.058 seconds(file I/O: 0.032 secs), 2997.148 MB of memory in use ==================================================== WallClock: 257.403809 CPUTime: 249.763031 Memory: 2997.148438 MB