cluster:182
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cluster:182 [2019/08/12 14:26] hmeij07 [the DPP] |
cluster:182 [2019/08/12 16:19] hmeij07 [Amber] |
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| + | ==== Amber ==== | ||
| + | |||
| + | The RTX compute node only had one GPU, the other nodes had 4 GPUs. In each run the mpi threads requested equaled the number of GPUs involved. Sample script bottom of page. | ||
| + | |||
| + | * [DPFP] - Double Precision Forces, 64-bit Fixed point Accumulation. | ||
| + | * [SPXP] - Single Precision Forces, Mixed Precision [interger] Accumulation. | ||
| + | * [SPFP] - Single Precision Forces, 64-bit Fixed Point Accumulation. (Default) | ||
| + | |||
| + | |||
| + | ^ ns/ | ||
| + | | DPFP | 5.21| 18.35| | ||
| + | | SXFP | 11.82| | ||
| + | | SFFP | 11.91| | ||
| + | |||
| + | Like last testing outcome, in the SFFP precision mode it is best to run four individual jobs, one per GPU (mpi=1, gpu=1). Best performance is the P100 at 47.64 vs the RTX at 39.69 ns/day per node. The T4 runs about 1/3 as fast and really falters in DPFP precision mode. But in SXFP (experimental) precision mode the T4 makes up in performance. | ||
| + | |||
| + | Can't complain about utilization rates.\\ | ||
| + | Amber mpi=4 gpu=4\\ | ||
| + | |||
| + | [heme@login1 amber16]$ ssh node7 ./ | ||
| + | id, | ||
| + | 0, Tesla P100-PCIE-16GB, | ||
| + | 1, Tesla P100-PCIE-16GB, | ||
| + | 2, Tesla P100-PCIE-16GB, | ||
| + | 3, Tesla P100-PCIE-16GB, | ||
| + | |||
| + | |||
| + | |||
| + | ==== Scripts ==== | ||
| + | |||
| + | * Amber | ||
| + | |||
| + | < | ||
| + | |||
| + | #!/bin/bash | ||
| + | |||
| + | #SBATCH --nodes=1 | ||
| + | #SBATCH --nodelist=node7 | ||
| + | #SBATCH --job-name=" | ||
| + | #SBATCH --ntasks-per-node=1 | ||
| + | #SBATCH --gres=gpu: | ||
| + | #SBATCH --exclusive | ||
| + | |||
| + | # NSTEP = 40000 | ||
| + | rm -f restrt.1K10 | ||
| + | mpirun --oversubscribe -x LD_LIBRARY_PATH -np 1 \ | ||
| + | -H localhost \ | ||
| + | ~/ | ||
| + | -inf mdinfo.1K10 -x mdcrd.1K10 -r restrt.1K10 -ref inpcrd | ||
| + | |||
| + | </ | ||
| \\ | \\ | ||
| **[[cluster: | **[[cluster: | ||
cluster/182.txt ยท Last modified: 2019/12/13 13:33 by hmeij07
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