Ation. A prominent example could be the proper plot of Figure three, where the highest RIB performances are recorded with no DLB when using GPUs. Even so, you will discover also circumstances exactly where the functionality is comparable with and devoid of DLB, as for instance, in the 4-GPU case of the left plot (light blue). Fitness of numerous node varieties Tables six and 7 list single-node performances for a diverse set of hardware combinations and the parameters that yielded peak performance. “DD grid” indicates the amount of DD cells per dimension, whereas “Nth” provides the number of threads per rank. As each DD cell is assigned to specifically one MPI rank, the total number of ranks could be calculated from the variety of DD grid cells as Nrank 5DDx 3DDy 3DDz plus the number NPME1998 Journal of Computational Chemistry 2015, 36, 1990of separate PME ranks, if any. Normally, the number of physical cores (or hardware threads with HT) is the item with the variety of ranks as well as the quantity of threads per rank. For MPI parallel runs, the DLB column indicates no matter whether peak functionality was achieved with (symbol ) or without DLB (symbol ) or irrespective of whether the benchmark was completed exclusively with enabled DLB (symbol ()). The “cost” column for each and every node provides a rough estimate on the net price tag as of 2014 and should really be taken having a grain of salt. Retail rates can conveniently vary by 150 over a somewhat short period. To supply a measure of “bang for buck,” employing the collected cost and overall performance information we derive a performance-to-price ratio metric shown in the last column. We normalize with the lowest performing setup to acquire ! 1 values. Though this ratio is only approximate, it nonetheless delivers insight into which hardware combinations are significantly extra competitive than other people. When a single CPU with four physical cores is combined having a single GPU, using only threading with out DD resulted within the greatest efficiency. On CPUs with ten physical cores, peak performance was typically obtained with thread-MPI combined with several threads per rank. When employing multiple GPUs, exactly where at the very least Nrank five NGPU ranks is required, in most instances an even bigger quantity PubMed ID:http://www.ncbi.nlm.nih.gov/pubmed/20148622 of ranks (a number of ranks per GPU) were optimal. Speedup with GPUs Tables 6 and 7 show that GPUs increase the performance of a compute node by a factor of 1.7.eight. In case of the inexpensive CB-5083 price GeForce consumer cards, this also reflects inside the node’s performance-to-price ratio, which increases by a issue of 2 when adding at least one GPU (final column). When installing a considerably more high-priced Tesla GPU, the performance-toprice ratio is almost unchanged. Simply because each the overall performance itself (criterion C2, as defined in the introduction) as well as the performance-to-price ratio (C1) are so much better for nodes with consumer-class GPUs, we focused our efforts on nodes with this type of GPU. When taking a look at single-CPU nodes with one particular or a lot more GPUs (see third column of Tables six and 7), the functionality benefit obtained by a second GPU is 20 for the 80 k atom technique (but largest around the 10-core machine), and on average about 25 for the 2 M atom system, whereas the performance-toprice ratio is nearly unchanged.Dotted lines connect GPU nodes to their CPU-only counterparts. The gray lines indicate constant performance-to-price ratio, they’re a aspect of two apart every. For this plot, all benchmarks not accomplished with GCC four.eight (see Table two) have been renormalized to the efficiency values anticipated for GCC four.8, that may be, plus 19 for GCC four.7 benchmarks on CPU nodes and plus four for GCC 4.7 b.
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