{"id":11013,"date":"2022-03-27T14:24:54","date_gmt":"2022-03-27T05:24:54","guid":{"rendered":"https:\/\/wp.study3.biz\/?p=11013"},"modified":"2022-08-07T15:02:35","modified_gmt":"2022-08-07T06:02:35","slug":"amd-epyc-7502p-32-core-processor-ubuntu-20-04-3-lts-titan-rtx-x2-cuda-11-4-namd-2-12-171025-stmv-virus-benchmark%e3%82%92%e5%8b%95%e4%bd%9c%e3%81%95%e3%81%9b%e3%81%a6%e3%81%bf%e3%81%9f-1066628-a","status":"publish","type":"post","link":"https:\/\/wp.study3.biz\/?p=11013","title":{"rendered":"AMD EPYC 7502P 32-Core Processor Ubuntu 20.04.3 LTS TITAN RTX x2 CUDA 11.4 namd 2.12-171025  STMV (virus) benchmark\u3092\u52d5\u4f5c\u3055\u305b\u3066\u307f\u305f (1,066,628 atoms, periodic, PME) 0.29578 days\/ns"},"content":{"rendered":"<p>\u2190 day\/ns \u6570\u5024\u304c\u5c0f\u3055\u3044\u307b\u3046\u304c\u9ad8\u6027\u80fd\u3000AMD EPYC 7502P 32-Core<br \/>\n<img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/wp.study3.biz\/wp-content\/uploads\/2021\/10\/namd-7502p.jpg\" alt=\"\" width=\"1098\" height=\"521\" class=\"alignnone size-full wp-image-9234\" \/><br \/>\nchibi@20-04:~$ sudo nvidia-docker run -it &#8211;rm nvcr.io\/hpc\/namd:2.12-171025 \/opt\/namd\/namd-multicore-memopt +p40 +setcpuaffinity +idlepoll \/workspace\/examples\/stmv\/stmv_pmecuda.namd<br \/>\n[sudo] chibi \u306e\u30d1\u30b9\u30ef\u30fc\u30c9:<br \/>\nUnable to find image &#8216;nvcr.io\/hpc\/namd:2.12-171025&#8217; locally<br \/>\n2.12-171025: Pulling from hpc\/namd<br \/>\nf6fa9a861b90: Pull complete<br \/>\n2d93875543ec: Pull complete<br \/>\n407421ef3e7e: Pull complete<br \/>\nea9ffec33008: Pull complete<br \/>\nc695ce24f66e: Pull complete<br \/>\ncb6e6f26f62f: Pull complete<br \/>\n4ca5cacd5888: Pull complete<br \/>\n127359e380ae: Pull complete<br \/>\n09f52fb90f32: Pull complete<br \/>\nc8b4fccff7c3: Pull complete<br \/>\na898f5b12168: Pull complete<br \/>\n0c9fa151e12b: Pull complete<br \/>\ne9f9e8f970e4: Pull complete<br \/>\n6cb19c6e7375: Pull complete<br \/>\n76db9e80d16b: Pull complete<br \/>\nDigest: sha256:c9184f9b071f2197f20a0064ed47f9dc8deac9f007e03d384ecbaad28a754124<br \/>\nStatus: Downloaded newer image for nvcr.io\/hpc\/namd:2.12-171025<br \/>\nCharm++: standalone mode (not using charmrun)<br \/>\nCharm++> Running in Multicore mode:  40 threads<br \/>\nCharm++> Using recursive bisection (scheme 3) for topology aware partitions<br \/>\nConverse\/Charm++ Commit ID: v6.8.2<br \/>\nWarning> Randomization of virtual memory (ASLR) is turned on in the kernel, thread migration may not work! Run &#8216;echo 0 > \/proc\/sys\/kernel\/randomize_va_space&#8217; as root to disable it, or try running with &#8216;+isomalloc_sync&#8217;.<br \/>\nCharmLB> Load balancer assumes all CPUs are same.<br \/>\nCharm++> cpu affinity enabled.<br \/>\nCharm++> Running on 1 unique compute nodes (64-way SMP).<br \/>\nCharm++> cpu topology info is gathered in 0.004 seconds.<br \/>\nInfo: Built with CUDA version 9000<br \/>\nDid not find +devices i,j,k,&#8230; argument, using all<br \/>\nPe 24 physical rank 24 will use CUDA device of pe 32<br \/>\nPe 18 physical rank 18 will use CUDA device of pe 16<br \/>\nPe 20 physical rank 20 will use CUDA device of pe 32<br \/>\nPe 1 physical rank 1 will use CUDA device of pe 16<br \/>\nPe 22 physical rank 22 will use CUDA device of pe 32<br \/>\nPe 21 physical rank 21 will use CUDA device of pe 32<br \/>\nPe 11 physical rank 11 will use CUDA device of pe 16<br \/>\nPe 26 physical rank 26 will use CUDA device of pe 32<br \/>\nPe 5 physical rank 5 will use CUDA device of pe 16<br \/>\nPe 36 physical rank 36 will use CUDA device of pe 32<br \/>\nPe 25 physical rank 25 will use CUDA device of pe 32<br \/>\nPe 4 physical rank 4 will use CUDA device of pe 16<br \/>\nPe 37 physical rank 37 will use CUDA device of pe 32<br \/>\nPe 33 physical rank 33 will use CUDA device of pe 32<br \/>\nPe 29 physical rank 29 will use CUDA device of pe 32<br \/>\nPe 31 physical rank 31 will use CUDA device of pe 32<br \/>\nPe 10 physical rank 10 will use CUDA device of pe 16<br \/>\nPe 0 physical rank 0 will use CUDA device of pe 16<br \/>\nPe 27 physical rank 27 will use CUDA device of pe 32<br \/>\nPe 23 physical rank 23 will use CUDA device of pe 32<br \/>\nPe 14 physical rank 14 will use CUDA device of pe 16<br \/>\nPe 8 physical rank 8 will use CUDA device of pe 16<br \/>\nPe 34 physical rank 34 will use CUDA device of pe 32<br \/>\nPe 19 physical rank 19 will use CUDA device of pe 16<br \/>\nPe 35 physical rank 35 will use CUDA device of pe 32<br \/>\nPe 6 physical rank 6 will use CUDA device of pe 16<br \/>\nPe 38 physical rank 38 will use CUDA device of pe 32<br \/>\nPe 2 physical rank 2 will use CUDA device of pe 16<br \/>\nPe 7 physical rank 7 will use CUDA device of pe 16<br \/>\nPe 9 physical rank 9 will use CUDA device of pe 16<br \/>\nPe 12 physical rank 12 will use CUDA device of pe 16<br \/>\nPe 3 physical rank 3 will use CUDA device of pe 16<br \/>\nPe 30 physical rank 30 will use CUDA device of pe 32<br \/>\nPe 28 physical rank 28 will use CUDA device of pe 32<br \/>\nPe 39 physical rank 39 will use CUDA device of pe 32<br \/>\nPe 17 physical rank 17 will use CUDA device of pe 16<br \/>\nPe 15 physical rank 15 will use CUDA device of pe 16<br \/>\nPe 13 physical rank 13 will use CUDA device of pe 16<br \/>\nPe 32 physical rank 32 binding to CUDA device 1 on 4954d5180a54: &#8216;NVIDIA TITAN RTX&#8217;  Mem: 24220MB  Rev: 7.5<br \/>\nPe 16 physical rank 16 binding to CUDA device 0 on 4954d5180a54: &#8216;NVIDIA TITAN RTX&#8217;  Mem: 24217MB  Rev: 7.5<br \/>\nInfo: NAMD 2.12 for Linux-x86_64-multicore-CUDA-memopt<br \/>\nWarning:<br \/>\nWarning:        ***  EXPERIMENTAL MEMORY OPTIMIZED VERSION  ***<br \/>\nWarning:<br \/>\nInfo:<br \/>\nInfo: Please visit http:\/\/www.ks.uiuc.edu\/Research\/namd\/<br \/>\nInfo: for updates, documentation, and support information.<br \/>\nInfo:<br \/>\nInfo: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005)<br \/>\nInfo: in all publications reporting results obtained with NAMD.<br \/>\nInfo:<br \/>\nInfo: Based on Charm++\/Converse 60800 for multicore-linux64-gcc<br \/>\nInfo: Built Tue Nov 21 02:03:10 UTC 2017 by  on a02d2dbfe66b<br \/>\nInfo: 1 NAMD  2.12  Linux-x86_64-multicore-CUDA-memopt  40    4954d5180a54  root<br \/>\nInfo: Running on 40 processors, 1 nodes, 1 physical nodes.<br \/>\nInfo: CPU topology information available.<br \/>\nInfo: Charm++\/Converse parallel runtime startup completed at 0.323441 s<br \/>\nCkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue<br \/>\nInfo: 29.9883 MB of memory in use based on \/proc\/self\/stat<br \/>\nInfo: Configuration file is \/workspace\/examples\/stmv\/stmv_pmecuda.namd<br \/>\nInfo: Changed directory to \/workspace\/examples\/stmv<br \/>\nTCL: Suspending until startup complete.<br \/>\nInfo: SIMULATION PARAMETERS:<br \/>\nInfo: TIMESTEP               1<br \/>\nInfo: NUMBER OF STEPS        800<br \/>\nInfo: STEPS PER CYCLE        20<br \/>\nInfo: PERIODIC CELL BASIS 1  216.832 0 0<br \/>\nInfo: PERIODIC CELL BASIS 2  0 216.832 0<br \/>\nInfo: PERIODIC CELL BASIS 3  0 0 216.832<br \/>\nInfo: PERIODIC CELL CENTER   0 0 0<br \/>\nInfo: LOAD BALANCER  Hybrid<br \/>\nInfo: LOAD BALANCING STRATEGY  New Load Balancers &#8212; DEFAULT<br \/>\nInfo: LDB PERIOD             4000 steps<br \/>\nInfo: FIRST LDB TIMESTEP     100<br \/>\nInfo: HYBRIDLB GROUP SIZE     512<br \/>\nInfo: LAST LDB TIMESTEP     -1<br \/>\nInfo: LDB BACKGROUND SCALING 1<br \/>\nInfo: HOM BACKGROUND SCALING 1<br \/>\nInfo: PME BACKGROUND SCALING 1<br \/>\nInfo: MAX SELF PARTITIONS    1<br \/>\nInfo: MAX PAIR PARTITIONS    1<br \/>\nInfo: SELF PARTITION ATOMS   154<br \/>\nInfo: SELF2 PARTITION ATOMS   154<br \/>\nInfo: PAIR PARTITION ATOMS   318<br \/>\nInfo: PAIR2 PARTITION ATOMS  637<br \/>\nInfo: MIN ATOMS PER PATCH    40<br \/>\nInfo: INITIAL TEMPERATURE    298<br \/>\nInfo: CENTER OF MASS MOVING INITIALLY? NO<br \/>\nInfo: DIELECTRIC             1<br \/>\nInfo: EXCLUDE                SCALED ONE-FOUR<br \/>\nInfo: 1-4 ELECTROSTATICS SCALED BY 1<br \/>\nInfo: MODIFIED 1-4 VDW PARAMETERS WILL BE USED<br \/>\nInfo: NO DCD TRAJECTORY OUTPUT<br \/>\nInfo: NO EXTENDED SYSTEM TRAJECTORY OUTPUT<br \/>\nInfo: NO VELOCITY DCD OUTPUT<br \/>\nInfo: NO FORCE DCD OUTPUT<br \/>\nInfo: OUTPUT FILENAME        \/workspace\/examples\/stmv\/stmv-output<br \/>\nInfo: BINARY OUTPUT FILES WILL BE USED<br \/>\nInfo: NO RESTART FILE<br \/>\nInfo: SWITCHING ACTIVE<br \/>\nInfo: SWITCHING ON           10<br \/>\nInfo: SWITCHING OFF          12<br \/>\nInfo: PAIRLIST DISTANCE      13.5<br \/>\nInfo: PAIRLIST SHRINK RATE   0.01<br \/>\nInfo: PAIRLIST GROW RATE     0.01<br \/>\nInfo: PAIRLIST TRIGGER       0.3<br \/>\nInfo: PAIRLISTS PER CYCLE    2<br \/>\nInfo: PAIRLISTS ENABLED<br \/>\nInfo: MARGIN                 0.48<br \/>\nInfo: HYDROGEN GROUP CUTOFF  2.5<br \/>\nInfo: PATCH DIMENSION        16.48<br \/>\nInfo: ENERGY OUTPUT STEPS    200<br \/>\nInfo: CROSSTERM ENERGY INCLUDED IN DIHEDRAL<br \/>\nInfo: TIMING OUTPUT STEPS    1<br \/>\nInfo: LANGEVIN DYNAMICS ACTIVE<br \/>\nInfo: LANGEVIN TEMPERATURE   298<br \/>\nInfo: LANGEVIN USING BBK INTEGRATOR<br \/>\nInfo: LANGEVIN DAMPING COEFFICIENT IS 5 INVERSE PS<br \/>\nInfo: LANGEVIN DYNAMICS NOT APPLIED TO HYDROGENS<br \/>\nInfo: LANGEVIN PISTON PRESSURE CONTROL ACTIVE<br \/>\nInfo:        TARGET PRESSURE IS 1.01325 BAR<br \/>\nInfo:     OSCILLATION PERIOD IS 200 FS<br \/>\nInfo:             DECAY TIME IS 100 FS<br \/>\nInfo:     PISTON TEMPERATURE IS 298 K<br \/>\nInfo:       PRESSURE CONTROL IS GROUP-BASED<br \/>\nInfo:    INITIAL STRAIN RATE IS 0 0 0<br \/>\nInfo:       CELL FLUCTUATION IS ISOTROPIC<br \/>\nInfo: PARTICLE MESH EWALD (PME) ACTIVE<br \/>\nInfo: PME TOLERANCE               1e-06<br \/>\nInfo: PME EWALD COEFFICIENT       0.257952<br \/>\nInfo: PME INTERPOLATION ORDER     8<br \/>\nInfo: PME GRID DIMENSIONS         108 108 108<br \/>\nInfo: PME MAXIMUM GRID SPACING    2.1<br \/>\nInfo: FULL ELECTROSTATIC EVALUATION FREQUENCY      4<br \/>\nInfo: USING VERLET I (r-RESPA) MTS SCHEME.<br \/>\nInfo: C1 SPLITTING OF LONG RANGE ELECTROSTATICS<br \/>\nInfo: PLACING ATOMS IN PATCHES BY HYDROGEN GROUPS<br \/>\nInfo: RIGID BONDS TO HYDROGEN : ALL<br \/>\nInfo:         ERROR TOLERANCE : 1e-08<br \/>\nInfo:          MAX ITERATIONS : 100<br \/>\nInfo: RIGID WATER USING SETTLE ALGORITHM<br \/>\nInfo: NONBONDED FORCES EVALUATED EVERY 2 STEPS<br \/>\nInfo: RANDOM NUMBER SEED     3141<br \/>\nInfo: USE HYDROGEN BONDS?    NO<br \/>\nInfo: STRUCTURE FILE         stmv.psf.inter<br \/>\nInfo: PARAMETER file: CHARMM format!<br \/>\nInfo: PARAMETERS             par_all27_prot_na.inp<br \/>\nInfo: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS<br \/>\nInfo: BINARY COORDINATES     stmv.coor<br \/>\nInfo: SUMMARY OF PARAMETERS:<br \/>\nInfo: 250 BONDS<br \/>\nInfo: 622 ANGLES<br \/>\nInfo: 1049 DIHEDRAL<br \/>\nInfo: 73 IMPROPER<br \/>\nInfo: 0 CROSSTERM<br \/>\nInfo: 130 VDW<br \/>\nInfo: 0 VDW_PAIRS<br \/>\nInfo: 0 NBTHOLE_PAIRS<br \/>\nInfo: TIME FOR READING PSF FILE: 0.00457501<br \/>\nInfo:<br \/>\nInfo: Entering startup at 0.358497 s, 74.8008 MB of memory in use<br \/>\nInfo: Startup phase 0 took 0.000119209 s, 74.8008 MB of memory in use<br \/>\nWarning: an empty exclusion signature with index 709!<br \/>\nInfo: Startup phase 1 took 0.000494003 s, 74.8008 MB of memory in use<br \/>\nInfo: NONBONDED TABLE R-SQUARED SPACING: 0.0625<br \/>\nInfo: NONBONDED TABLE SIZE: 769 POINTS<br \/>\nInfo: INCONSISTENCY IN FAST TABLE ENERGY VS FORCE: 0.000325096 AT 11.9556<br \/>\nInfo: INCONSISTENCY IN SCOR TABLE ENERGY VS FORCE: 0.000324844 AT 11.9556<br \/>\nInfo: INCONSISTENCY IN VDWA TABLE ENERGY VS FORCE: 0.0040507 AT 0.251946<br \/>\nInfo: INCONSISTENCY IN VDWB TABLE ENERGY VS FORCE: 0.00150189 AT 0.251946<br \/>\nInfo: Running with 2 input processors.<br \/>\nInfo: Running with 1 output processors (1 of them will output simultaneously).<br \/>\nInfo: INPUT PROC LOCATIONS: 8 16<br \/>\nInfo: OUTPUT PROC LOCATIONS: 32<br \/>\nInfo: Startup phase 2 took 0.0269179 s, 230.004 MB of memory in use<br \/>\nInfo: Startup phase 3 took 0.0608959 s, 233.836 MB of memory in use<br \/>\nInfo: PATCH GRID IS 13 (PERIODIC) BY 13 (PERIODIC) BY 13 (PERIODIC)<br \/>\nInfo: PATCH GRID IS 1-AWAY BY 1-AWAY BY 1-AWAY<br \/>\nInfo: LOADED 1810196 TOTAL EXCLUSIONS<br \/>\nInfo: REMOVING COM VELOCITY -0.00436736 -0.0116608 0.0017952<br \/>\nInfo: Startup phase 4 took 0.0267119 s, 550.203 MB of memory in use<br \/>\nInfo: ****************************<br \/>\nInfo: STRUCTURE SUMMARY:<br \/>\nInfo: 1066628 ATOMS<br \/>\nInfo: 769956 BONDS<br \/>\nInfo: 605872 ANGLES<br \/>\nInfo: 450875 DIHEDRALS<br \/>\nInfo: 24578 IMPROPERS<br \/>\nInfo: 0 CROSSTERMS<br \/>\nInfo: 0 EXCLUSIONS<br \/>\nInfo: 977416 RIGID BONDS<br \/>\nInfo: 2222468 DEGREES OF FREEDOM<br \/>\nInfo: 389067 HYDROGEN GROUPS<br \/>\nInfo: 4 ATOMS IN LARGEST HYDROGEN GROUP<br \/>\nInfo: 389067 MIGRATION GROUPS<br \/>\nInfo: 4 ATOMS IN LARGEST MIGRATION GROUP<br \/>\nInfo: TOTAL MASS = 6.69877e+06 amu<br \/>\nInfo: TOTAL CHARGE = 0.000168104 e<br \/>\nInfo: MASS DENSITY = 1.09115 g\/cm^3<br \/>\nInfo: ATOM DENSITY = 0.104627 atoms\/A^3<br \/>\nInfo: *****************************<br \/>\nInfo: LARGEST PATCH (1044) HAS 541 ATOMS<br \/>\nInfo: Startup phase 5 took 0.064692 s, 556.648 MB of memory in use<br \/>\nInfo: TORUS A SIZE 1 USING 0<br \/>\nInfo: TORUS B SIZE 1 USING 0<br \/>\nInfo: TORUS C SIZE 1 USING 0<br \/>\nInfo: TORUS MINIMAL MESH SIZE IS 1 BY 1 BY 1<br \/>\nInfo: Placed 100% of base nodes on same physical node as patch<br \/>\nInfo: Startup phase 6 took 0.00647807 s, 563.926 MB of memory in use<br \/>\nInfo: PME using 1 x 1 x 1 pencil grid for FFT and reciprocal sum.<br \/>\nInfo: Updated CUDA force table with 4096 elements.<br \/>\nInfo: Updated CUDA LJ table with 130 x 130 elements.<br \/>\nInfo: Updated CUDA force table with 4096 elements.<br \/>\nInfo: Updated CUDA LJ table with 130 x 130 elements.<br \/>\nInfo: Startup phase 7 took 2.50228 s, 1197.46 MB of memory in use<br \/>\nInfo: Startup phase 8 took 0.00889802 s, 1200.93 MB of memory in use<br \/>\nLDB: Hybrid LB being created&#8230;<br \/>\nHybridBaseLB: ThreeLevelTree is created.<br \/>\nInfo: Startup phase 9 took 0.0020349 s, 1200.93 MB of memory in use<br \/>\nInfo: CREATING 46457 COMPUTE OBJECTS<br \/>\nInfo: Found 333 unique exclusion lists needing 1076 bytes<br \/>\nInfo: Found 333 unique exclusion lists needing 1076 bytes<br \/>\nInfo: useSync: 0 useProxySync: 0<br \/>\nInfo: Startup phase 10 took 0.100756 s, 1229.77 MB of memory in use<br \/>\nInfo: Startup phase 11 took 0.000178099 s, 1229.77 MB of memory in use<br \/>\nInfo: Startup phase 12 took 0.00746894 s, 1238.8 MB of memory in use<br \/>\nInfo: Finished startup at 3.16642 s, 1238.8 MB of memory in use<\/p>\n<p>ETITLE:      TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW       BOUNDARY           MISC        KINETIC               TOTAL           TEMP      POTENTIAL         TOTAL3        TEMPAVG            PRESSURE      GPRESSURE         VOLUME       PRESSAVG      GPRESSAVG<\/p>\n<p>ENERGY:       0     37737.1346    105740.7991     81950.2881      4986.4949       -4134769.7819    375589.2239         0.0000         0.0000    657466.6567       -2871299.1847       297.7341  -3528765.8414  -2869829.7710       297.7341         -17649.5862      2333.7514  10194598.5131    -17649.5862      2333.7514<\/p>\n<p>TIMING: 1  CPU: 0.341291, 0.015974\/step  Wall: 0.656251, 0.017494\/step, 0.00388269 hours remaining, 2224.507812 MB of memory in use.<br \/>\nTIMING: 2  CPU: 0.361237, 0.019946\/step  Wall: 0.674256, 0.0180051\/step, 0.00399114 hours remaining, 2224.507812 MB of memory in use.<br \/>\nTIMING: 3  CPU: 0.378621, 0.017384\/step  Wall: 0.695148, 0.0208919\/step, 0.00462524 hours remaining, 2229.132812 MB of memory in use.<br \/>\nTIMING: 4  CPU: 0.430396, 0.051775\/step  Wall: 0.795804, 0.100656\/step, 0.0222562 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 5  CPU: 0.450368, 0.019972\/step  Wall: 0.813393, 0.0175891\/step, 0.00388426 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 6  CPU: 0.470334, 0.019966\/step  Wall: 0.835551, 0.0221579\/step, 0.00488705 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 7  CPU: 0.486337, 0.016003\/step  Wall: 0.852636, 0.0170851\/step, 0.00376346 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 8  CPU: 0.522102, 0.035765\/step  Wall: 0.886188, 0.0335519\/step, 0.00738142 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 9  CPU: 0.538111, 0.016009\/step  Wall: 0.901916, 0.015728\/step, 0.00345579 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 10  CPU: 0.558096, 0.019985\/step  Wall: 0.922524, 0.0206079\/step, 0.0045223 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 11  CPU: 0.574036, 0.01594\/step  Wall: 0.939602, 0.0170782\/step, 0.00374296 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 12  CPU: 0.60996, 0.035924\/step  Wall: 0.973091, 0.033489\/step, 0.00733037 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 13  CPU: 0.625549, 0.015589\/step  Wall: 0.989234, 0.0161428\/step, 0.00352901 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 14  CPU: 0.645508, 0.019959\/step  Wall: 1.01172, 0.02249\/step, 0.00491032 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 15  CPU: 0.664397, 0.018889\/step  Wall: 1.02788, 0.016155\/step, 0.00352269 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 16  CPU: 0.693359, 0.028962\/step  Wall: 1.05993, 0.0320501\/step, 0.00697981 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 17  CPU: 0.713323, 0.019964\/step  Wall: 1.07724, 0.017313\/step, 0.00376558 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 18  CPU: 0.733263, 0.01994\/step  Wall: 1.09863, 0.02139\/step, 0.00464637 hours remaining, 2272.148438 MB of memory in use.<br \/>\nTIMING: 19  CPU: 0.745248, 0.011985\/step  Wall: 1.11121, 0.0125818\/step, 0.00272956 hours remaining, 2272.148438 MB of memory in use.<br \/>\nLDB: ============= START OF LOAD BALANCING ============== 4.17143<br \/>\nLDB: ============== END OF LOAD BALANCING =============== 4.17218<\/p>\n<p>\u4e2d\u7565<\/p>\n<p>Info: Benchmark time: 40 CPUs 0.0255554 s\/step <strong>0.29578 days\/ns<\/strong> 2378.66 MB memory<br \/>\nTIMING: 800  CPU: 20.7025, 0.102669\/step  Wall: 21.1146, 0.102581\/step, 0 hours remaining, 2378.664062 MB of memory in use.<br \/>\nENERGY:     800     38265.1703    105134.3046     81938.3978      5092.8089       -4004759.6569    289362.8364         0.0000         0.0000    647007.5166       -2837958.6223       292.9977  -3484966.1388  -2836541.4833       293.5903         -18991.9954        60.9805  10348672.5777         6.1608         5.9441<\/p>\n<p>WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 800<br \/>\nWRITING COORDINATES TO OUTPUT FILE AT STEP 800<br \/>\nWRITING VELOCITIES TO OUTPUT FILE AT STEP 800<br \/>\nThe last position output (seq=-2) takes 0.021 seconds(file I\/O: 0.017 secs), 2602.246 MB of memory in use<br \/>\nThe last velocity output (seq=-2) takes 0.033 seconds(file I\/O: 0.017 secs), 2602.246 MB of memory in use<br \/>\n====================================================<\/p>\n<p>WallClock: 24.237206  CPUTime: 23.533232  Memory: 2602.246094 MB<br \/>\n[Partition 0][Node 0] End of program<br \/>\nchibi@20-04:~$ cat \/etc\/os-release<br \/>\nNAME=&#8221;Ubuntu&#8221;<br \/>\nVERSION=&#8221;20.04.3 LTS (Focal Fossa)&#8221;<br \/>\nID=ubuntu<br \/>\nID_LIKE=debian<br \/>\nPRETTY_NAME=&#8221;Ubuntu 20.04.3 LTS&#8221;<br \/>\nVERSION_ID=&#8221;20.04&#8243;<br \/>\nHOME_URL=&#8221;https:\/\/www.ubuntu.com\/&#8221;<br \/>\nSUPPORT_URL=&#8221;https:\/\/help.ubuntu.com\/&#8221;<br \/>\nBUG_REPORT_URL=&#8221;https:\/\/bugs.launchpad.net\/ubuntu\/&#8221;<br \/>\nPRIVACY_POLICY_URL=&#8221;https:\/\/www.ubuntu.com\/legal\/terms-and-policies\/privacy-policy&#8221;<br \/>\nVERSION_CODENAME=focal<br \/>\nUBUNTU_CODENAME=focal<br \/>\nchibi@20-04:~$ nvcc -V<br \/>\nnvcc: NVIDIA (R) Cuda compiler driver<br \/>\nCopyright (c) 2005-2021 NVIDIA Corporation<br \/>\nBuilt on Sun_Aug_15_21:14:11_PDT_2021<br \/>\nCuda compilation tools, release 11.4, V11.4.120<br \/>\nBuild cuda_11.4.r11.4\/compiler.30300941_0<br \/>\nchibi@20-04:~$ sensors<br \/>\namd_energy-isa-0000<br \/>\nAdapter: ISA adapter<\/p>\n<p>ucsi_source_psy_3_00081-i2c-3-08<br \/>\nAdapter: NVIDIA GPU I2C adapter<br \/>\nin0:           0.00 V  (min =  +0.00 V, max =  +0.00 V)<br \/>\ncurr1:         0.00 A  (max =  +0.00 A)<\/p>\n<p>i350bb-pci-4100<br \/>\nAdapter: PCI adapter<br \/>\nloc1:         +45.0\u00b0C  (high = +120.0\u00b0C, crit = +110.0\u00b0C)<\/p>\n<p>ucsi_source_psy_4_00081-i2c-4-08<br \/>\nAdapter: NVIDIA GPU I2C adapter<br \/>\nin0:           0.00 V  (min =  +0.00 V, max =  +0.00 V)<br \/>\ncurr1:         0.00 A  (max =  +0.00 A)<\/p>\n<p>k10temp-pci-00c3<br \/>\nAdapter: PCI adapter<br \/>\nTctl:         +31.0\u00b0C<br \/>\nTdie:         +31.0\u00b0C<br \/>\nTccd1:        +29.0\u00b0C<br \/>\nTccd3:        +30.5\u00b0C<br \/>\nTccd5:        +30.2\u00b0C<br \/>\nTccd7:        +30.5\u00b0C<\/p>\n<p>chibi@20-04:~$ sudo hddtemp \/dev\/sda<br \/>\n\/dev\/sda: TS128GSSD370S: 23\u00b0C<br \/>\nchibi@20-04:~$ nvidia-smi nvlink -c<br \/>\nGPU 0: NVIDIA TITAN RTX (UUID: GPU-5a71d61e-f130-637a-b33d-4df555b0ed88)<br \/>\nGPU 1: NVIDIA TITAN RTX (UUID: GPU-7fb51c1d-c1e7-35cc-aad7-66971f05ddb7)<br \/>\nchibi@20-04:~$ lsmem<br \/>\nRANGE                                  SIZE  STATE REMOVABLE BLOCK<br \/>\n0x0000000000000000-0x000000207fffffff  130G online       yes  0-64<\/p>\n<p>Memory block size:         2G<br \/>\nTotal online memory:     130G<br \/>\nTotal offline memory:      0B<br \/>\nchibi@20-04:~$ lscpu<br \/>\n\u30a2\u30fc\u30ad\u30c6\u30af\u30c1\u30e3:                      x86_64<br \/>\nCPU \u64cd\u4f5c\u30e2\u30fc\u30c9:                      32-bit, 64-bit<br \/>\n\u30d0\u30a4\u30c8\u9806\u5e8f:                          Little Endian<br \/>\nAddress sizes:                       43 bits physical, 48 bits virtual<br \/>\nCPU:                                 64<br \/>\n\u30aa\u30f3\u30e9\u30a4\u30f3\u306b\u306a\u3063\u3066\u3044\u308b CPU \u306e\u30ea\u30b9\u30c8: 0-63<br \/>\n\u30b3\u30a2\u3042\u305f\u308a\u306e\u30b9\u30ec\u30c3\u30c9\u6570:              2<br \/>\n\u30bd\u30b1\u30c3\u30c8\u3042\u305f\u308a\u306e\u30b3\u30a2\u6570:              <strong>32<\/strong><br \/>\n\u30bd\u30b1\u30c3\u30c8\u6570:                          1<br \/>\nNUMA \u30ce\u30fc\u30c9\u6570:                       1<br \/>\n\u30d9\u30f3\u30c0\u30fc ID:                         AuthenticAMD<br \/>\nCPU \u30d5\u30a1\u30df\u30ea\u30fc:                      23<br \/>\n\u30e2\u30c7\u30eb:                              49<br \/>\n\u30e2\u30c7\u30eb\u540d:                            <strong>AMD EPYC 7502P 32-Core Processor<\/strong><br \/>\n\u30b9\u30c6\u30c3\u30d4\u30f3\u30b0:                        0<br \/>\nFrequency boost:                     enabled<br \/>\nCPU MHz:                             1500.000<br \/>\nCPU \u6700\u5927 MHz:                        2500.0000<br \/>\nCPU \u6700\u5c0f MHz:                        1500.0000<br \/>\nBogoMIPS:                            4990.58<br \/>\n\u4eee\u60f3\u5316:                              AMD-V<br \/>\nL1d \u30ad\u30e3\u30c3\u30b7\u30e5:                      1 MiB<br \/>\nL1i \u30ad\u30e3\u30c3\u30b7\u30e5:                      1 MiB<br \/>\nL2 \u30ad\u30e3\u30c3\u30b7\u30e5:                       16 MiB<br \/>\nL3 \u30ad\u30e3\u30c3\u30b7\u30e5:                       128 MiB<br \/>\nNUMA \u30ce\u30fc\u30c9 0 CPU:                   0-63<br \/>\nVulnerability Itlb multihit:         Not affected<br \/>\nVulnerability L1tf:                  Not affected<br \/>\nVulnerability Mds:                   Not affected<br \/>\nVulnerability Meltdown:              Not affected<br \/>\nVulnerability Spec store bypass:     Mitigation; Speculative Store Bypass disabl<br \/>\n                                     ed via prctl and seccomp<br \/>\nVulnerability Spectre v1:            Mitigation; usercopy\/swapgs barriers and __<br \/>\n                                     user pointer sanitization<br \/>\nVulnerability Spectre v2:            Mitigation; Full AMD retpoline, IBPB condit<br \/>\n                                     ional, IBRS_FW, STIBP conditional, RSB fill<br \/>\n                                     ing<br \/>\nVulnerability Srbds:                 Not affected<br \/>\nVulnerability Tsx async abort:       Not affected<br \/>\n\u30d5\u30e9\u30b0:                              fpu vme de pse tsc msr pae mce cx8 apic sep<br \/>\n                                      mtrr pge mca cmov pat pse36 clflush mmx fx<br \/>\n                                     sr sse sse2 ht syscall nx mmxext fxsr_opt p<br \/>\n                                     dpe1gb rdtscp lm constant_tsc rep_good nopl<br \/>\n                                      nonstop_tsc cpuid extd_apicid aperfmperf p<br \/>\n                                     ni pclmulqdq monitor ssse3 fma cx16 sse4_1<br \/>\n                                     sse4_2 movbe popcnt aes xsave avx f16c rdra<br \/>\n                                     nd lahf_lm cmp_legacy svm extapic cr8_legac<br \/>\n                                     y abm sse4a misalignsse 3dnowprefetch osvw<br \/>\n                                     ibs skinit wdt tce topoext perfctr_core per<br \/>\n                                     fctr_nb bpext perfctr_llc mwaitx cpb cat_l3<br \/>\n                                      cdp_l3 hw_pstate sme ssbd mba sev ibrs ibp<br \/>\n                                     b stibp vmmcall sev_es fsgsbase bmi1 avx2 s<br \/>\n                                     mep bmi2 cqm rdt_a rdseed adx smap clflusho<br \/>\n                                     pt clwb sha_ni xsaveopt xsavec xgetbv1 xsav<br \/>\n                                     es cqm_llc cqm_occup_llc cqm_mbm_total cqm_<br \/>\n                                     mbm_local clzero irperf xsaveerptr rdpru wb<br \/>\n                                     noinvd arat npt lbrv svm_lock nrip_save tsc<br \/>\n                                     _scale vmcb_clean flushbyasid decodeassists<br \/>\n                                      pausefilter pfthreshold avic v_vmsave_vmlo<br \/>\n                                     ad vgif umip rdpid overflow_recov succor sm<br \/>\n                                     ca<br \/>\nchibi@20-04:~$<br \/>\n<a href=\"https:\/\/wp.study3.biz\/wp-content\/uploads\/2021\/10\/AMD-EPYC-7502P-32-Core-Processor-Ubuntu-20.04.3-LTS-TITAN-RTX-x2-CUDA-11.4-namd-2.12-171025-STMV-virus-benchmark-1066628-atoms-periodic-PME-0.29578-days-ns.txt\">AMD EPYC 7502P 32-Core Processor Ubuntu 20.04.3 LTS TITAN RTX x2 CUDA 11.4 namd 2.12-171025 STMV (virus) benchmark (1,066,628 atoms, periodic, PME) 0.29578 days ns<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u2190 day\/ns \u6570\u5024\u304c\u5c0f\u3055\u3044\u307b\u3046\u304c\u9ad8\u6027\u80fd\u3000AMD EPYC 7502P 32-Core chibi@20-04:~$ sudo nvidia-docker run -it &#8211;rm nvcr.io\/hpc\/n &hellip; <a href=\"https:\/\/wp.study3.biz\/?p=11013\">\u7d9a\u304d\u3092\u8aad\u3080 <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_jetpack_memberships_contains_paid_content":false,"footnotes":""},"categories":[18,17],"tags":[],"class_list":["post-11013","post","type-post","status-publish","format-standard","hentry","category-nvidia","category-ubuntu"],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"_links":{"self":[{"href":"https:\/\/wp.study3.biz\/index.php?rest_route=\/wp\/v2\/posts\/11013","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/wp.study3.biz\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/wp.study3.biz\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/wp.study3.biz\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/wp.study3.biz\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=11013"}],"version-history":[{"count":3,"href":"https:\/\/wp.study3.biz\/index.php?rest_route=\/wp\/v2\/posts\/11013\/revisions"}],"predecessor-version":[{"id":11019,"href":"https:\/\/wp.study3.biz\/index.php?rest_route=\/wp\/v2\/posts\/11013\/revisions\/11019"}],"wp:attachment":[{"href":"https:\/\/wp.study3.biz\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=11013"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/wp.study3.biz\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=11013"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/wp.study3.biz\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=11013"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}