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cluster:182 [2019/08/12 17:47]
hmeij07 [Scripts] 		cluster:182 [2019/08/13 12:37]
hmeij07 [Gromacs]
Line 81: Line 81:
 |  SD  |  981,897|  ?|  916,225|  881,247|  2,294,344|  | |  SD  |  981,897|  ?|  916,225|  881,247|  2,294,344|  |
 |  SS  |  1,050,796|  ?|  1,035,041|  1,021,477|  2,541,435|  | |  SS  |  1,050,796|  ?|  1,035,041|  1,021,477|  2,541,435|  |
 +
 +Forgot run run the 4 GPU P100 scenarios, deh.
  
 As with Amber, it is best to run one job per GPU to achieve max node performance. Depending on problem set performance can be boosted by requesting more MPI threads. In previous tests the P100 in double_double precision mode achieved 2.7 million tau/day, so these results are surprising. The RTX 6000 does a decent job of keeping up with the P100. As with Amber, it is best to run one job per GPU to achieve max node performance. Depending on problem set performance can be boosted by requesting more MPI threads. In previous tests the P100 in double_double precision mode achieved 2.7 million tau/day, so these results are surprising. The RTX 6000 does a decent job of keeping up with the P100.
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 ==== Gromacs ==== ==== Gromacs ====
  
-Gromacs was build on each of the nodes locally letting it select the optimal CPU (AVX, SSE) and GPU accelerators. The ''cmake'' flag -DGMX_BUILD_OWN_FFTW=ON yields a mixed precision compilation which is recommended. The we ran multidir options 01-04 on single GPU, and 01-08 and 01-16 on all 4 GPUs when possible.+Gromacs was build on each of the nodes locally letting it select the optimal CPU (AVX, SSE) and GPU accelerators. The ''cmake'' flag -DGMX_BUILD_OWN_FFTW=ON yields a mixed precision compilation which is recommended. Then we ran multidir options 01-04 on single GPU, and 01-08 and 01-16 on all 4 GPUs when possible.
  
  
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 |  Mixed  |  |  |  |  |  650|  gpu=4, 01-08  | |  Mixed  |  |  |  |  |  650|  gpu=4, 01-08  |
 |  Mixed  |  |  |  |  |  733|  gpu=4, 01-16  | |  Mixed  |  |  |  |  |  733|  gpu=4, 01-16  |
 +
 +The T4 is P100's equal in mixed precision performance. Add the wattage factor and you have a favorite.
  
 ==== Scripts ==== ==== Scripts ====
cluster/182.txt ยท Last modified: 2019/12/13 13:33 by hmeij07

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