←days/ns, Less Is Better
Info: Benchmark time: 40 CPUs 0.029733 s/step 0.344132 days/ns 2911.41 MB memory
TIMING: 800 CPU: 9.06489, 0.0231/step Wall: 25.016, 0.0766659/step, 0 hours remaining, 2911.414062 MB of memory in use.
ENERGY: 800 38570.7690 105235.8567 81816.3163 5060.3588 -4006320.2685 289085.5429 0.0000 0.0000 647924.2850 -2838627.1398 293.4128 -3486551.4248 -2837204.2607 293.5202 -19053.3498 10.6686 10348853.6462 6.3558 6.1575
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 800
WRITING COORDINATES TO OUTPUT FILE AT STEP 800
WRITING VELOCITIES TO OUTPUT FILE AT STEP 800
The last position output (seq=-2) takes 0.008 seconds(file I/O: 0.007 secs), 3126.797 MB of memory in use
The last velocity output (seq=-2) takes 0.013 seconds(file I/O: 0.007 secs), 3126.797 MB of memory in use
====================================================
WallClock: 30.228762 CPUTime: 13.665143 Memory: 3126.796875 MB
[Partition 0][Node 0] End of program
[chibi@centos8 ~]$ cat /etc/redhat-release
CentOS Linux release 8.1.1911 (Core)
[chibi@centos8 ~]$ nvcc -V
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2019 NVIDIA Corporation
Built on Wed_Oct_23_19:24:38_PDT_2019
Cuda compilation tools, release 10.2, V10.2.89
[chibi@centos8 ~]$ sensors
k10temp-pci-00c3
Adapter: PCI adapter
Tdie: +26.6°C (high = +70.0°C)
Tctl: +26.6°C
[chibi@centos8 ~]$ sudo hddtemp /dev/sda
/dev/sda: Samsung SSD 840 PRO Series: 23°C
[chibi@centos8 ~]$ nvidia-smi nvlink -c
GPU 0: TITAN RTX (UUID: GPU-7fb51c1d-c1e7-35cc-aad7-66971f05ddb7)
GPU 1: TITAN RTX (UUID: GPU-5a71d61e-f130-637a-b33d-4df555b0ed88)
GPU 2: GeForce RTX 2080 Ti (UUID: GPU-1ac935c2-557f-282e-14e5-3f749ffd63ac)
GPU 3: GeForce RTX 2080 Ti (UUID: GPU-13277ce5-e1e9-0cb1-8cee-6c9e6618e774)
[chibi@centos8 ~]$
AMD EPYC 7302P CentOS Linux release 8.1 RTX2080Ti x2 TITAN RTX x2 CUDA 10.2 namd 2.12-171025 STMV (virus) benchmark (1,066,628 atoms, periodic, PME) 0.344132 days ns
GPU挙動推移AMD EPYC 7302P CentOS Linux release 8.1 RTX2080Ti x2 TITAN RTX x2 CUDA 10.2 namd 2.12-171025 STMV (virus) benchmark (1,066,628 atoms, periodic, PME) 0.344132 days ns nvidia-smi
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