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This report compares the performance of a number of different computer systems using the DL_POLY software. The benchmark suite used includes a set of six MD calculations using the DL_POLY molecular simulation code. The comparison involves forty nine computers, including scientific workstations from IBM, Sun, Hewlett Packard, Digital and Silicon Graphics, and Pentium-based PCs.
Workstations that have been benchmarked, include those from
We should stress from the outset that our access to much of the hardware evaluated herein has been at best short lived, and has often involved the temporary loan or donation of machines as part of one of the hardware evaluation exercises run at the Daresbury Laboratory. In many cases these machines were not optimally configured in terms of either memory, or high speed disk, and consideration of the results presented here should be viewed in that light.
Following an introductory evaluation of hardware based on the SPEC Benchmarks (section 2), we present in sections 3 and 4 results using the DL_POLY simulation program [1].
Note that the present results are taken from a more detailed report on computational chemistry benchmarks; the associated MS powerpoint presentation is also available.
One of the most useful indicator of CPU performance is provided by the SPEC (``Systems Performance Evaluation Corporation'') benchmarks. This benchmark suite contains non-tuned application-based code to measure processor speed for both integer (SPECint) and floating point (SPECfp) arithmetic. While earlier versions of the suite (e.g. SPECmark89) had certain well-advertised flaws, the more recent offerings, SPECfp95 and SPECint95 have become industry standards in measuring primarily the performance of a system's processor, memory architecture, operating system and compiler.
SPECfp95 is derived from the results of ten floating-point benchmarks compiled with aggressive optimization. It is the geometric mean of ten normalized ratios (one for each floating-point benchmark). SPECint95 is derived from the results of eight integer benchmarks compiled with aggressive optimization. It is the geometric mean of eight normalized ratios (one for each integer benchmark) Note that the level of optimization is not mandated. While highly aggressive optimization is permitted, results derived from benchmarks compiled with conservative optimization (as in SPECbase) can be submitted.
SPECfp95 and SPECint95 results for many of the CPUs discussed in this paper are given in Table 1.
An analysis of trends in SPECfp95 ratings up to mid 1998 suggested that the leading CPUs from each of the key workstation vendors exhibited comparable performance figures. As of July 1998, the P2SC/160 CPU in the IBM RS/6000-397 exhibited the most impressive SPECfp95 rating. With a value of 26.6, the P2SC was marginally faster than the HP PA-9000/C240, 1.2 times faster than the HP PA-9000/C200 and SUN Enterprise HPC4500/336, 1.3 times faster than the DEC Alpha 8400/EV5-625 and SUN Ultra-2/300, and 1.4 times faster than the R10k-based SGI Origin2000/195.
This picture changed quite drastically with the arrival of both the EV6/A21264 from Compaq/Digital and the PA8500 CPU from Hewlett Packard, and more recently the EV67/A21264A from Compaq and PA8600 from HP. The 667 MHz EV67 exhibits SPECfp95 ratings of 72.20 and 65.50 in the Compaq ES40 and XP1000 respectively, while the 500 MHz EV6/A21264 show ratings of 58.7 and 57.7 in the Compaq DS20 and Compaq ES40 respectively. The figure of 54.00 for the 440 MHz PA8500 CPU in the HP PA-9000/J500 is almost identical to the 667 MHz EV67 in the API UP2000/6-667 (noticeably slower than that in the Compaq XP1000). The figure of 52.40 in the EV6-based Compaq PW XP1000/500 is almost identical to that of the 400 MHz PA8500 CPU in the HP PA-9000/C3000 (52.40). While the Winterhawk-II CPU from IBM is of comparable performance (SPECfp95 of 50.90), the current range of leading CPUs from other vendors, notably SUN and Silicon Graphics, are markedly inferior e.g., 34.4 for the SGI 300 MHz R12k in the Origin 2000), and 27.90 for the SUN UltraSPARCIIi in the Ultra80/450. The 200 MHz RS6000 power3 CPU in the IBM/RS6000-43P Model 260 shows comparable performance, with a SPECfp rating of 30.10. The following points should be noted regarding the values specified in this Table;
Using the Compaq PW XP1000/667 value of 65.5 to normalises the SPECfp ratings, we would expect the XP1000 and ES40/6-667 to be somewhat ahead of the APU UP2000/6-667 and other EV6-based machines (the Compaq Alpha DS20, XP1000/500, ES40/500, DS20/500, Alpha GS140, and Alpha 8400/6-575) and the PA8500-based systems (the HP PA-9000/J5000, PA-9000/C3000 and PA-9000/N4000). These eleven machines, together with the IBM RS/6000-SP/375 appear far superior to the remainder. Based on this performance metric, the PW XP1000/667 is seen to be 2.2 times faster than the power3-based 200 MHz IBM RS/6000-43P/260 and 1.9 times the 300 MHz R12k-based SGI Origin2000. All other CPUs are projected to be significantly less than half the speed.
The EV67-, PA8500- and EV6-based machines from Compaq/DEC and HP also seen to dominate the SPECint95 ratings, with typical values of 37, 32-34 and 24-27 respectively. The 667 MHz EV67 is rated at twice the SGI Origin2000/R12k and SUN Ultra80/450. The value of 24.40 for the IBM RS/6000-SP/375 is seen to be competitive with the EV6-based CPUs. We also note that the SPECint95 ratings suggest that Pentium III/550 is 1.63 times slower than the Compaq XP1000/667, while the SPECfp95 ratings point to the Pentium being a factor of 4.8 times slower. Corresponding values for the AMD Athlon K7/600 are reduced to 1.34 and 3.34 respectively.
When considering the present benchmarking results, there are several factors we wish to consider in assessing the usefulness of the SPEC ratings;
i. Do the SPECfp95 values provide a reliable metric for evaluating the capabilities of hardware in computational chemistry? If so, we would expect to find a close mapping of the ratios for the various chemistry benchmarks onto the SPECfp ratios;
ii. Does any particular CPU consistently ``underperform'' based on the SPECfp criteria? - this would manifest itself as the ratios from the chemistry benchmarks falling below the SPECfp ratios. In particular we shall look for indicators of the memory problems of the SGI O2-R10k [2] impacting on the benchmarks.
We will attempt to address these issues below. Finally, we note that A SPEC FAQ describing the SPEC benchmark suite and the SPEC consortium is periodically posted to comp.benchmarks, and can be found on the WWW at
http://www.specbench.org/spec/faq
An excellent summary of the SPEC benchmarks that is periodically updated is available via anonymous ftp from ftp.cs.toronto.edu in the file /pub/spectable More SPEC-related information is available at the SPEC WWW site,
and at the Performance Database Web site,
http://performance.netlib.org/performance/html/spec .html#specsite.
Finally, we note that the next generation of SPEC benchmarks, SPEC CPU2000,
http://www.specbench.org/osg/cpu200 0/results/cpu2000.html
has been announced and will replace SPEC95 during the year. At present there is only a limited set of CPU2000 results available and we have not included these in the present report.
The benchmark summarised below is designed to reflect the typical range of simulations undertaken by the molecular dynamicist. It includes 6 calculations carried out using the DL_POLY molecular dynamics code, and includes the following functionality;
The data presented in Table 2 is collected under control of the UNIX command time where available, and includes CPU time (both user and system), total elapsed time and Efficiency, measured as CPU versus elapsed. The total user CPU timings of Table 2 refer to the summed user CPU timings over all 6 calculations of the benchmark. Note that in contrast to the QC benchmark, little I/O is performed by the DL_POLY calculations, so that efficiency should always be high assuming the benchmarks were conducted on a dedicated resource.
The total CPU timings of Table 2 suggest that the Digital/Compaq Alpha EV67 CPU is dominant, with the ES40/667 and XP1000/667 showing comparable run times (10.8 and 11.2 mins. respectively), both ca. 1.2 times faster than the same CPU in the API UP2000/667. The EV67 is seen to be ca. 1.2-1.3 faster than the EV6-based machines from Compaq, the AlphaServer GS140 (13.9 minutes), AlphaServer DS20 and DS40 (14.3 and 14.5 minutes respectively) and XP1000/500 (14.8 mins). The EV67-based Compaq XP1000/667 outperforms the EV5-based DEC Alpha 8400/5-625 (19.8 mins.) and Alpha PW/600AU (20.2 mins.) by a factor of 1.78. Of the 11 leading machines of Table 17, only two are not Alpha-based, with the Hewlet Packard (HP PA-9000/N4000) and Silicon Graphics (SGI Origin2000/R12k) outperformed by the XP1000/667 by factors of 1.42 and 1.67 respectively.
When considering the performance of the CPUs from SUN, IBM and Hewlett Packard, we would note the following:
As a summary of this work, we present in Table 3 the relative performance of 93 of the leading CPUs against the Compaq XP1000/667 in terms of the SPECfp95 and SPECint95 benchmarks, and those from the present DL_POLY evaluation and from the Matrix-97, Chemistry Kernels and GAMESS-UK benchmarks (detailed in computational chemistry benchmarks).
Based on the published SPECfp95 ratings, and normalising with respect to the Compaq XP1000/667 value of 65.5, we would expect (see section 1) the XP1000 and ES40/6-667 to be somewhat ahead of the API UP2000/6-667 and other EV6-based machines (the Compaq Alpha DS20, XP1000/500, ES40/500, DS20/500, Alpha GS140, and Alpha 8400/6-575) and the PA8500-based systems (the HP PA-9000/J5000, PA-9000/C3000 and PA-9000/N4000). These eleven machines, together with the IBM RS/6000-SP/375 appear far superior to the remainder. Based on this performance metric, the PW XP1000/667 is seen to be 2.2 times faster than the power3-based 200 MHz IBM RS/6000-43P/260 and 1.9 times the 300 MHz R12k-based SGI Origin2000. All other CPUs are projected to be significantly less than half the speed. Based on these relative SPECfp values given in the table, we expect a factor of 52.3 between the fastest and slowest processor, the SUN SPARC/10-41.
The EV67-, PA8500- and EV6-based machines from Compaq/DEC and HP are also seen to dominate the SPECint95 ratings, with typical values of 37, 32-34 and 24-27 respectively. The 667 MHz EV67 is rated at twice the SGI Origin2000/R12k and SUN Ultra80/450. The value of 24.40 for the IBM RS/6000-SP/375 is seen to be competitive with the EV6-based CPUs. We also note that the SPECint95 ratings suggest that Pentium III/550 is 1.63 times slower than the Compaq XP1000/667, while the SPECfp95 ratings point to the Pentium being a factor of 4.8 times slower. Corresponding values for the AMD Athlon K7/600 are reduced to 1.34 and 3.34 respectively.
When analysing the results, we wish to consider based on the present evaluation exercise, (i) do the SPECfp95 values provide a reliable metric for evaluating the capabilities of hardware in computational chemistry? If so, we would expect to find a close mapping of the ratios for the various chemistry benchmarks onto the SPECfp95 ratios, (ii) does any particular CPU consistently ``underperform'' based on the SPECfp criteria? - this would manifest itself as the ratios from the chemistry benchmarks falling below the SPECfp ratios, and (iii) do the ``simple'' Matrix and Chemistry Kernel benchmarks lead to the same conclusions as the GAMESS-UK and DL_POLY benchmarks?
In the interests of providing a single Performance Index (PI) covering all machines of Table 3, we have provided an average value of the Matrix-97, Chemistry Kernels and GAMESS-UK benchmarks. Note that that at this stage we have not included the DL_POLY benchmark results in computing the PI, since that these results are only available on a sub-set of the machines. The value of such an index is somewhat debatable, for not only does it omit the DL_POLY benchmark, it weights the chemistry kernels on an equal footing with the end-application codes, which is not ideal. Note that we have only provided PI estimates for those machines where data on all three benchmarks is available.
Summarising the major conclusions from the figures of Table 3, we would note the following;
In terms of perfromance ordering of CPUs, we find that the PI values and all the chemistry benchmarks are broadly in line with the SPECfp predictions; notable exceptions in addition to those already mentioned are summarised below:
The CRIME chip, which acts as the memory interface between the memory and the three drains on it - the CPU (800 MByte/second), I/O engine (500 MByte/sec) and the monitor display (700 MByte/second) - is probably the main bottleneck. This chip was designed to work as a built in memory controller, but the design was biased toward the R5k; it can't work directly with the R10k because the R5k expects 32 byte cache refills while the R10k wants to have 64 or 128 byte refills. Therefore SGI supply a custom ASIC with the R10k daughter board. This interfaces the R10k's level 2 cache with the CRIME chip. Performance problems are caused by the ASIC having to break each 128 byte cache refill operation into 4, 32 byte refills. The net impact of this effect is that the O2 R10k will only work well with problems that fit into the L2 cache (1 MByte). Not surprisingly, the memory intensive SPECfp95 figures are badly affected, although the impact on less memory intensive applications is not so severe. It should be noted that this type of incident is very rare; chips often fail to deliver but not system architectures designed for existing chips.
| Compiler | Options | Linpack 100X100 |
|---|---|---|
| Sun f77 4.2 | -fast -O5 | 164 Mflop/ s |
| Sun f77 5.0 | -fast -O5 | 166 Mflop/ s |
| Sun f90 1.2 | -fast | 61 Mflop/ s |
| Sun f90 2.0 | -fast -ftrap=no%division | 68 Mflop/ s |
| NAGWare f95 4.0 | -Wc,-fast | 166 Mflop/ s |
These figures underline that the performance of the Sun Fortran 90 compiler is still poor compared with Sun's Fortran 77 compiler. Surprisingly, the performance of the NAGWare Fortran 95 compiler which produces intermediate C code is as good as Sun's native Fortran 77 compiler.
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| Machine | SPECfp95 | SPECint95 | Relative Values (%) | |
|---|---|---|---|---|
| SPECfp95 | SPECint95 | |||
| Compaq Alpha ES40/667 | 72.20 | 36.40 | 110% | 97% |
| Compaq PW XP1000/667 | 65.50 | 37.50 | 100% | 100% |
| Compaq Alpha DS20 | 58.70 | 27.70 | 90% | 74% |
| Compaq Alpha ES40 | 57.70 | 27.30 | 88% | 73% |
| HP PA-9000/J5000 | 54.00 | 32.50 | 82% | 87% |
| API UP2000 6/667 | 53.70 | 32.10 | 82% | 86% |
| HP PA-9000/C3000 | 52.40 | 31.80 | 80% | 85% |
| Compaq PW XP1000/500 | 52.20 | 26.90 | 80% | 72% |
| HP PA-9000/N4000 | 51.40 | 34.00 | 78% | 91% |
| Compaq Alpha DS10 | 47.90 | 24.60 | 73% | 66% |
| DEC Alpha 8400/6-575 | 47.70 | 30.30 | 73% | 81% |
| Compaq Alpha GS140 | 45.20 | 27.80 | 69% | 74% |
| SGI Origin2000/R12k | 34.40 | 18.40 | 53% | 49% |
| IBM RS/6000-43P | 30.10 | 13.10 | 46% | 35% |
| HP PA-9000/785 C360 | 28.10 | 26.00 | 43% | 69% |
| SUN Ultra80/450 | 27.90 | 19.70 | 43% | 53% |
| IBM RS/6000-397 | 26.60 | 8.61 | 41% | 23% |
| SUN HPC4500/400 | 25.70 | 17.70 | 39% | 47% |
| HP PA-9000/C240 | 25.40 | 17.30 | 39% | 46% |
| HP PA-9000/V2250 | 24.80 | 16.40 | 38% | 44% |
| SGI Octane/R12k-270 | 24.70 | 15.60 | 38% | 42% |
| SGI Onyx2 IR2/250 | 24.50 | 14.70 | 37% | 39% |
| SGI Origin2000/250 | 24.50 | 14.70 | 37% | 39% |
| SUN HPC4500/336 | 21.90 | 15.00 | 33% | 40% |
| DEC Alpha 1200/5-533 | 21.90 | 16.60 | 33% | 44% |
| AMD Athlon K7/600 | 21.60 | 27.20 | 33% | 73% |
| HP PA-9000/C200 | 21.40 | 14.20 | 33% | 38% |
| DEC Alpha PW/600AU | 21.30 | 16.30 | 33% | 43% |
| DEC Alpha 8400/5-625 | 20.80 | 18.40 | 32% | 49% |
| DEC Alpha 500/5-500 | 20.40 | 15.00 | 31% | 40% |
| SGI Octane/R10k-250 | 20.30 | 13.60 | 31% | 36% |
| SUN Ultra30/300 | 18.30 | 12.10 | 28% | 32% |
| DEC Alpha PW/433AU | 18.10 | 13.90 | 28% | 37% |
| IBM RS/6000-595 | 17.60 | 6.17 | 27% | 16% |
| SGI Octane/R10k-195 | 17.40 | 9.40 | 27% | 25% |
| HP PA-9000/C160 | 16.30 | 10.40 | 25% | 28% |
| SGI Origin200/180 | 15.60 | 8.59 | 24% | 23% |
| SUN Ultra-2/300 | 15.50 | 12.30 | 24% | 33% |
| SGI Octane/R10k-175 | 15.50 | 8.40 | 24% | 22% |
| Pentium III/550 | 15.10 | 22.30 | 23% | 59% |
| Pentium III/500 | 14.70 | 20.60 | 22% | 55% |
| DEC Alpha 500/5-400 | 14.10 | 12.30 | 22% | 33% |
| SGI PChall-R10k/195 | 13.80 | 8.85 | 21% | 24% |
| Pentium II/450 | 13.30 | 18.50 | 20% | 49% |
| DEC Alpha 600/5-333 | 13.20 | 9.23 | 20% | 25% |
| ProLiant PII/450 | 13.10 | 17.60 | 20% | 47% |
| Pentium II/400 | 12.80 | 16.90 | 20% | 45% |
| DEC Alpha 8400/5-300 | 12.40 | 7.43 | 19% | 20% |
| SGI O2 R12k/270 | 11.80 | 12.40 | 18% | 33% |
| DEC Alpha 600/5-266 | 11.80 | 7.91 | 18% | 21% |
| SUN Ultra-2/200 | 11.10 | 7.67 | 17% | 20% |
| IBM RS/6000-590 | 10.40 | 3.33 | 16% | 9% |
| IBM RS/6000-3CT | 10.20 | 3.42 | 16% | 9% |
| Pentium II/300 | 9.20 | 12.90 | 14% | 34% |
| SUN Ultra-1/170 | 9.06 | 5.56 | 14% | 15% |
| SGI O2 R5k/300 | 9.03 | 8.03 | 14% | 21% |
| DEC Alpha 2100/5-250 | 8.39 | 5.96 | 13% | 16% |
| SUN Ultra-1/140 | 7.90 | 4.66 | 12% | 12% |
| SGI O2 R10k/175 | 7.83 | 9.02 | 12% | 24% |
| Dell Optiplex/266 | 7.68 | 10.80 | 12% | 29% |
| Pentium II/266 | 7.68 | 10.80 | 12% | 29% |
| IBM RS/6000-3BT | 7.50 | 3.14 | 11% | 8% |
| Pentium Pro/200 | 6.75 | 8.09 | 10% | 22% |
| HP PA-9000/J200 | 6.32 | 3.52 | 10% | 9% |
| DEC Alpha 250/4-266 | 6.27 | 5.18 | 10% | 14% |
| DEC AXP/3000-700 | 5.71 | 3.66 | 9% | 10% |
| SGI O2 R5k/180 | 5.42 | 4.82 | 8% | 13% |
| Pentium 233 MMX | 5.21 | - | 8% | 0% |
| SGI Indy-R5k | 4.78 | 4.32 | 7% | 12% |
| HP PA-9000/735-125 | 4.61 | 3.97 | 7% | 11% |
| HP PA-9000/735 | 4.06 | 3.22 | 6% | 9% |
| DEC AXP/3000-500 | 3.65 | 2.15 | 6% | 6% |
| HP PA-9000/715-100 | 3.47 | 2.89 | 5% | 8% |
| IBM PowerPC-43P | 3.20 | 3.59 | 5% | 10% |
| IBM PowerPC-250 | 2.32 | 1.82 | 4% | 5% |
| SUN SPARC 10/41 | 1.38 | 1.13 | 2% | 3% |
| MPP node | ||||
| IBM RS/6000-SP/375 | 50.90 | 24.40 | 78% | 65% |
| IBM SP2/160Thin | 25.80 | 8.61 | 39% | 23% |
| HP PA-9000/V2200 | 22.10 | 13.80 | 34% | 37% |
| Cray T3E/1200 | 21.30 | 18.40 | 33% | 49% |
| Cray T3E/900 | 17.25 | 13.60 | 26% | 36% |
| IBM SP2/120Thin | 16.60 | 5.61 | 25% | 15% |
| IBM SP2/66Thin | 9.35 | 3.31 | 14% | 9% |
| Machine | CPU Time | Elapsed | Relative | |
|---|---|---|---|---|
| User | System | Time | Performance (%) | |
| Compaq Alpha ES40/667 | 10.8 | 0.0 | 10.8 | 104% |
| Compaq PW XP1000/667 | 11.2 | 0.0 | 11.2 | 100% |
| API UP2000 6/667 | 13.6 | 0.0 | 13.5 | 82% |
| Compaq Alpha GS140 | 13.9 | 0.0 | 13.9 | 80% |
| Compaq Alpha DS20 | 14.3 | 0.0 | 14.3 | 78% |
| Compaq Alpha ES40 | 14.5 | 0.0 | 14.5 | 77% |
| Compaq PW XP1000/500 | 14.8 | 0.0 | 14.8 | 75% |
| HP PA-9000/N4000 | 15.9 | 0.1 | 16.1 | 70% |
| Compaq Alpha DS10 | 16.3 | 0.2 | 33.1(*) | 68% |
| AlphaPC 264DP-500 | 18.4 | 0.0 | 18.8 | 61% |
| SGI Origin2000/R12k | 18.7 | 0.0 | 18.8 | 60% |
| HP PA-9000/J5000 | 19.6 | 0.0 | 19.7 | 57% |
| DEC Alpha 8400/5-625 | 19.7 | 0.1 | 19.9 | 56% |
| HP PA-9000/C3000 | 20.1 | 0.0 | 20.2 | 56% |
| DEC Alpha PW/600AU | 20.2 | 0.0 | 20.2 | 55% |
| SGI Octane/R12k-270 | 20.9 | 0.0 | 20.9 | 54% |
| SGI Origin2000/250 | 21.6 | 0.0 | 21.7 | 52% |
| IBM RS/6000-SP/375 | 21.7 | 0.0 | 21.7 | 52% |
| DEC Alpha 1200/5-533 | 23.2 | 0.1 | 24.6 | 48% |
| SGI Origin200/225 | 24.0 | 0.0 | 24.1 | 46% |
| SGI Octane/R10k-250 | 24.5 | 0.0 | 24.5 | 46% |
| DEC Alpha PW/433AU | 28.1 | 0.0 | 28.8 | 40% |
| AMD Athlon K7/600 (pgi) | 28.3 | 0.0 | 28.3 | 40% |
| SGI O2 R12k/270 | 29.5 | 0.1 | 30.2 | 38% |
| SGI Origin2000/195 | 29.9 | 0.0 | 30.8 | 37% |
| HP PA-9000/V2250 | 30.7 | 0.1 | 30.8 | 36% |
| SGI PChall-R10k/195 | 33.0 | 0.1 | 33.2 | 34% |
| AMD Athlon K7/500 (pgi) | 33.3 | 0.0 | 33.3 | 34% |
| HP PA-9000/V2200 | 33.5 | 0.1 | 33.6 | 33% |
| Pentium III/550 (pgi) | 34.3 | 0.0 | 34.3 | 33% |
| IBM RS/6000-43P | 35.8 | 0.0 | 35.7 | 31% |
| HP PA-9000/C240 | 36.2 | 0.0 | 36.5 | 31% |
| DEC Alpha 8400/5-300 | 37.2 | 0.1 | 37.2 | 30% |
| SGI Octane/R10k-175 | 40.4 | 0.1 | 40.5 | 28% |
| ProLiant PII/450 (pgi) | 41.1 | 0.0 | 41.2 | 27% |
| Cray T3E/1200 | 41.2 | 0.6 | 42.6 | 27% |
| SUN Ultra80/450 | 44.0 | 0.0 | 44.1 | 25% |
| SUN HPC4500/400 | 49.1 | 0.0 | 49.2 | 23% |
| Pentium II/400 (pgi) | 50.4 | 0.0 | 50.5 | 22% |
| Cray T3E/900 | 51.0 | 0.7 | 52.3 | 22% |
| SGI O2 R5k/300 | 51.7 | 0.1 | 53.0 | 22% |
| SUN HPC4500/336 | 62.6 | 0.0 | 62.7 | 18% |
| Pentium II/300 (pgi) | 65.6 | 0.0 | 65.7 | 17% |
| IBM SP2/120Thin | 67.5 | 0.0 | 68.1 | 17% |
| Pentium II/300 (abs) | 72.1 | 0.0 | 72.1 | 16% |
| Pentium II/266 (pgi) | 76.4 | 0.0 | 76.5 | 15% |
| SGI O2 R5k/180 | 80.5 | 0.2 | 83.5 | 14% |
| Pentium II/266 (abs) | 83.8 | 0.0 | 83.8 | 13% |
| IBM RS/6000-59H | 107.7 | 0.0 | 108.3 | 10% |
(+) Version 2.11 of the DL_POLY Code
| Machine | SPEC- | SPEC- | Matrix-97 | Chemistry | GAMESS | DLPOLY | Final |
|---|---|---|---|---|---|---|---|
| fp95 | int95 | (Matrix-89) | Kernels | CPU | CPU | Index (%) | |
| Compaq Alpha ES40/667 | 110 | 97 | 107 | 116 | 113 | 104 | 112 |
| Compaq PW XP1000/667 | 100 | 100 | 100 | 100 | 100 | 100 | 100 |
| Compaq Alpha DS20 | 90 | 74 | 77 | 90 | 75 | 78 | 81 |
| Compaq Alpha ES40 | 88 | 73 | 70 | 89 | 78 | 77 | 79 |
| HP PA-9000/J5000 | 82 | 87 | 108 | 91 | 85 | 57 | 95 |
| API UP2000 6/667 | 82 | 86 | 76 | 106 | 77 | 82 | 86 |
| HP PA-9000/C3000 | 80 | 85 | 81 | 82 | 81 | 56 | 81 |
| Compaq PW XP1000/500 | 80 | 72 | 70 | 83 | 72 | 75 | 75 |
| HP PA-9000/N4000 | 78 | 91 | 104 | 81 | - | 70 | 93 |
| IBM RS/6000-SP/375 | 78 | 65 | 115 | 100 | 94 | 52 | 103 |
| Compaq Alpha DS10 | 73 | 66 | 54 | 73 | 63 | 68 | 63 |
| DEC Alpha 8400/6-575 | 73 | 81 | 77 | 63 | 73 | - | 71 |
| Compaq Alpha GS140 | 69 | 74 | 74 | 85 | 61 | 80 | 73 |
| SGI Origin2000/R12k | 53 | 49 | 65 | 68 | 51 | 60 | 61 |
| IBM RS/6000-43P | 46 | 35 | 71 | 64 | 52 | 31 | 62 |
| HP PA-9000/785 C360 | 43 | 69 | 59 | 60 | 65 | - | 61 |
| SUN Ultra80/450 | 43 | 53 | 57 | 56 | 48 | 25 | 54 |
| IBM RS/6000-397 | 41 | 23 | 41 | 61 | 38 | - | 47 |
| IBM SP2/160Thin | 39 | 23 | 41 | 62 | - | - | 52 |
| SUN HPC4500/400 | 39 | 47 | 51 | 48 | 41 | 23 | 47 |
| HP PA-9000/C240 | 39 | 46 | 55 | 47 | 48 | 31 | 50 |
| HP PA-9000/V2250 | 38 | 44 | 60 | 38 | - | 30 | 49 |
| SGI Octane/R12k-270 | 38 | 42 | 56 | 63 | 46 | 54 | 55 |
| SGI Onyx2 IR2/250 | 37 | 39 | 51 | 52 | - | - | 52 |
| SGI Origin2000/250 | 37 | 39 | 50 | 54 | 40 | 52 | 48 |
| HP PA-9000/V2200 | 34 | 37 | 60 | 39 | 39 | 33 | 46 |
| SUN HPC4500/336 | 33 | 40 | 46 | 38 | 37 | 18 | 40 |
| DEC Alpha 1200/5-533 | 33 | 44 | 42 | 47 | 34 | 48 | 41 |
| AMD Athlon K7/600 (pgi) | 33 | 73 | 33 | 56 | - | 40 | 45 |
| AMD Athlon K7/600 | 33 | 73 | 38 | 52 | 51 | - | 47 |
| HP PA-9000/C200 | 33 | 38 | 39 | 41 | 32 | - | 37 |
| DEC Alpha PW/600AU | 33 | 43 | 42 | 49 | 45 | 55 | 45 |
| Cray T3E/1200 | 33 | 49 | 32 | 51 | - | 27 | 42 |
| DEC Alpha 8400/5-625 | 32 | 49 | 43 | 48 | 38 | 56 | 43 |
| DEC Alpha 500/5-500 | 31 | 40 | 32 | 39 | 30 | - | 34 |
| SGI Octane/R10k-250 | 31 | 36 | 38 | 51 | - | 46 | 45 |
| SGI Origin2000/195 | 29 | 25 | 38 | 37 | 33 | 37 | 36 |
| AMD Athlon K7/500 | 29 | 61 | 33 | 45 | 42 | - | 40 |
| AMD Athlon K7/500 (pgi) | 29 | 61 | 33 | 49 | - | 34 | 41 |
| SUN Ultra30/300 | 28 | 32 | 30 | 29 | 31 | - | 30 |
| DEC Alpha PW/433AU | 28 | 37 | 31 | 37 | 34 | 40 | 34 |
| IBM RS/6000-595 | 27 | 16 | (35) | 46 | 31 | - | 37 |
| SGI Octane/R10k-195 | 27 | 25 | 33 | 37 | 33 | - | 34 |
| Cray T3E/900 | 26 | 36 | 29 | 43 | - | 22 | 36 |
| IBM SP2/120Thin | 25 | 15 | 32 | 45 | 29 | 17 | 35 |
| HP PA-9000/C160 | 25 | 28 | 30 | 25 | 25 | - | 27 |
| SGI Origin200/180 | 24 | 23 | 31 | 34 | 30 | - | 32 |
| SUN Ultra-2/300 | 24 | 33 | 37 | 28 | 32 | - | 32 |
| SGI Octane/R10k-175 | 24 | 22 | 30 | 33 | 30 | 28 | 31 |
| Pentium III/550 | 23 | 59 | 31 | 37 | 40 | - | 36 |
| Pentium III/550 (pgi) | 23 | 59 | 31 | 41 | - | 33 | 36 |
| Pentium III/500 | 22 | 55 | 26 | 31 | 27 | - | 28 |
| DEC Alpha 500/5-400 | 22 | 33 | 27 | 33 | 29 | - | 30 |
| SGI PChall-R10k/195 | 21 | 24 | 28 | 29 | 29 | 34 | 29 |
| Pentium II/450 | 20 | 49 | 24 | 29 | - | - | 27 |
| DEC Alpha 600/5-333 | 20 | 25 | 26 | 28 | 25 | - | 26 |
| ProLiant PII/450 | 20 | 47 | 30 | 31 | - | 27 | 31 |
| Pentium II/400 (abs) | 20 | 45 | 21 | 33 | - | - | 27 |
| Pentium II/400 (pgi) | 20 | 45 | 23 | 31 | - | 22 | 27 |
| Pentium II/400 | 20 | 45 | 22 | 27 | 29 | - | 26 |
| DEC Alpha 8400/5-300 | 19 | 20 | 25 | 26 | 22 | 30 | 24 |
| SGI O2 R12k/270 | 18 | 33 | 30 | 47 | 27 | 38 | 35 |
| DEC Alpha 600/5-266 | 18 | 21 | (17) | 22 | 21 | - | 20 |
| SUN Ultra-2/200 | 17 | 20 | (21) | 24 | 22 | - | 22 |
| IBM RS/6000-590 | 16 | 9 | (15) | 22 | 15 | 10 | 17 |
| IBM RS/6000-3CT | 16 | 9 | (17) | 21 | 17 | - | 18 |
| IBM SP2/66Thin | 14 | 9 | (17) | 19 | - | - | 18 |
| Pentium II/300 (abs) | 14 | 34 | 15 | 22 | - | 16 | 19 |
| Pentium II/300 | 14 | 34 | 14 | 18 | 22 | - | 18 |
| SUN Ultra-1/170 | 14 | 15 | (18) | 20 | 17 | - | 18 |
| SGI O2 R5k/300 | 14 | 21 | 11 | 23 | 16 | 22 | 17 |
| DEC Alpha 2100/5-250 | 13 | 16 | (18) | 20 | 20 | - | 19 |
| SUN Ultra-1/140 | 12 | 12 | (15) | 17 | 15 | - | 16 |
| SGI O2 R10k/175 | 12 | 24 | 21 | 23 | 20 | - | 21 |
| Dell Optiplex/266 | 12 | 29 | 10 | - | - | - | 5 |
| Pentium II/266 | 12 | 29 | 13 | 18 | 17 | - | 16 |
| Pentium II/266 (pgi) | 12 | 29 | 13 | 20 | - | 15 | 17 |
| Pentium II/266 (abs) | 12 | 29 | 14 | 21 | - | 13 | 18 |
| IBM RS/6000-3BT | 11 | 8 | (13) | 16 | - | - | 15 |
| Pentium Pro/200 | 10 | 22 | 7 | 14 | 13 | - | 11 |
| HP PA-9000/J200 | 10 | 9 | (13) | 9 | - | - | 11 |
| DEC Alpha 250/4-266 | 10 | 14 | (13) | 15 | 14 | - | 14 |
| DEC AXP/3000-700 | 9 | 10 | (11) | 11 | 12 | - | 11 |
| SGI O2 R5k/180 | 8 | 13 | 7 | 14 | 11 | 14 | 11 |
| Pentium 233 MMX | 8 | - | 5 | 9 | 8 | - | 7 |
| SGI Indy-R5k | 7 | 12 | ( 9) | 13 | 9 | - | 10 |
| HP PA-9000/735-125 | 7 | 11 | (12) | 11 | 13 | - | 12 |
| HP PA-9000/735 | 6 | 9 | (10) | 10 | 11 | - | 10 |
| DEC AXP/3000-500 | 6 | 6 | ( 7) | 5 | 6 | - | 6 |
| HP PA-9000/715-100 | 5 | 8 | ( 8) | 9 | 8 | - | 8 |
| IBM PowerPC-43P | 5 | 10 | ( 7) | 10 | - | - | 9 |
| IBM PowerPC-250 | 4 | 5 | ( 3) | 5 | - | - | 4 |
| SUN SPARC 10/41 | 2 | 3 | ( 2) | 3 | 3 | - | 3 |
| Machine | Configuration | Location |
|---|---|---|
| SUN SPARCstation 10/30 | SuperSPARC/36 MHz | DL (loan) |
| SUN SPARCstation 2/GS | SPARC/40 MHz | DL (loan) |
| SUN 4/370 | - | DL |
| Solbourne S4000 | - | DL (loan) |
| SUN SPARCstation 10/41 | SuperSPARC/40 MHz | PNNL |
| SUN SPARCserver 1000 | SuperSPARC/50 MHz | DL (loan) |
| SUN SPARCstation 5/85 | MicroSPARC II/85 MHz | DL (loan) |
| SUN SPARCstation 20/HS21 | HyperSPARC/125 MHz | DL (loan) |
| SUN Ultra-1 Model 170 | UltraSPARC-1/167 MHz | DL |
| SUN Ultra-2 Model 2200 | UltraSPARC-2/200 MHz | DL (loan) |
| SUN Ultra-1 Model 140 | UltraSPARC-1/143 MHz | DL (loan) |
| SUN Ultra-2 Model 2300 | UltraSPARC-2/300 MHz | DL (loan) |
| SUN Ultra30/300 | UltraSPARC-2/296 MHz | Adelaide |
| SUN HPC4500/336 | UltraSPARC-2/336 MHz | SUN |
| SUN HPC4500/400 | UltraSPARC-2/400 MHz | SUN |
| SUN Ultra80/450 | UltraSPARC-2/450 MHz | SUN |
| HP PA-9000/755 | PA7100/99 MHz | DL |
| HP PA-9000/750 | PA7000/66 MHz | DL |
| HP PA-9000/720 | PA7000/50 MHz | DL |
| HP/Apollo DN10020 | PRISM | DL |
| HP PA-9000/735 | PA7100/99 MHz | DL |
| HP PA-9000/735/125 | PA7150/125 MHz | PNNL |
| HP PA-9000/715-80 | PA7100LC/80 MHz | DL (loan) |
| HP PA-9000/715-100 | PA7100LC/100 MHz | DL (loan) |
| HP PA-9000/J200 | PA7200/100 MHz | DL (loan) |
| HP PA-9000/C160 | PA8000/160 MHz | Berlin |
| HP PA-9000/C200 | PA8200/200 MHz | DL (loan) |
| HP PA-9000/V2200 | PA8200/200 MHz | Oxford |
| HP PA-9000/C240 | PA8200/236 MHz | DL (loan) |
| HP PA-9000/V2250 | PA8200/240 MHz | HP |
| HP PA-9000/785 C360 | PA8500/367 MHz | Berlin |
| HP PA-9000/C3000 | PA8500/400 MHz | Berlin |
| HP PA-9000/J5000 | PA8500/440 MHz | |
| HP PA-9000/N4000 | PA8500/440 MHz | HP |
| DEC S5000/200 | R3000A/R3010A 25 MHz | DL (loan) |
| DEC S5000/120 | R3000A/R3010A 20 MHz | DL (loan) |
| DEC AXP/3000-500 | AXP A21064/150 MHz | DL (loan) |
| DEC AXP/3000-600 | AXP A21064/175 MHz | PNNL |
| DEC AXP/3000-300 | AXP A21064/150 MHz | PNNL |
| DEC AXP/3000-700 | AXP A21064A/225 MHz | DL (loan) |
| DEC Alpha 250/4-266 | AXP A21064A/266 MHz | DL (loan) |
| DEC Alpha 8400/5-300 | AXP A21164/300 MHz | RAL |
| DEC Alpha 600/5-266 | AXP A21164/266 MHz | DL (loan) |
| DEC Alpha 600/5-333 | AXP A21164/333 MHz | DL (loan) |
| DEC Alpha 2100/5-250 | AXP A21164/250 MHz | DL (loan) |
| DEC Alpha 500/5-400 | AXP A21164/400 MHz | DL |
| DEC Alpha 500/5-500 | AXP A21164/500 MHz | DL (loan) |
| DEC Alpha 1200/5-533 | AXP A21164/533 MHz | Compaq TestD |
| DEC Alpha PW/433AU | AXP A21164/433 MHz | DL |
| DEC Alpha PW/600AU | AXP A21164/600 MHz | DL (loan) |
| DEC Alpha 8400/5-625 | AXP A21164/625 MHz | RAL |
| DEC Alpha 8400/6-575 | AXP A21264/575 MHz | CCC (Galway) |
| AlphaPC 264DP-500 | AXP A21264/500 MHz | DL (loan) |
| Compaq PW XP1000/500 | AXP A21264/500 MHz | DL |
| Compaq Alpha DS20 | AXP A21264/500 MHz | CCC (Galway) |
| Compaq Alpha ES40 | AXP A21264/500 MHz | CCC (Galway) |
| Compaq Alpha GS140 | AXP A21264/525 MHz | CCC (Galway) |
| Compaq Alpha DS10 | AXP A21264/466 MHz | DL |
| Compaq Alpha ES40/667 | AXP A21264A/667 MHz | CCC (Galway) |
| Compaq PW XP1000/667 | AXP A21264A/667 MHz | DL (loan) |
| API UP2000/6-667 | AXP A21264A/667 MHz | DL (loan) |
| SGI R4000 Indigo | R4000/R4010 100 MHz | DL (loan) |
| SGI 4D/420 | - | DL (loan) |
| SGI 4D/320 | R3000A/R3010A 33 MHz | DL (loan) |
| SGI R3000 Indigo | R3000A/R3010A 33 MHz | DL (loan) |
| SGI 4D/220 GTX | - | DL |
| SGI Challenge L/100 | R4400/R4010 100 MHz | Utrecht |
| SGI PChall-R8k/75 | R8000/R8010 75 MHz | DL (loan) |
| SGI Indigo2 R4400/150 | R4400/R4010 150 MHz | DL (loan) |
| SGI Challenge L/150 | R4400/R4010 150 MHz | Southampton |
| SGI R8k Indigo2 | R8000/R8010 75 MHz | DL (loan) |
| SGI PChall-R10k/195 | R10000/R10010 195 MHz | DL (loan) |
| SGI Indy-R5k | R5000/R5000 180 MHz | DL (loan) |
| SGI Indigo2-R10k/175 | R10000/R10010 175 MHz | Liverpool |
| SGI Indigo2 R4400/250 | R4400/R4010 250 MHz | DL |
| SGI Origin2000/195 | R10000/R10010 195 MHz | Manchester |
| SGI Origin2000/250 | R10000/R10010 250 MHz | Manchester |
| SGI Onyx2 IR2/250 | R10000/R10010 250 MHz | DL (loan) |
| SGI Origin2000/R12k | R12000 300 MHz R2.3 | Utrecht |
| SGI Octane/R10k-175 | R10000/R10010 175 MHz | Oxford |
| SGI Octane/R10k-195 | R10000/R10010 195 MHz | DL (loan) |
| SGI Octane/R10k-250 | R10000/R10010 250 MHz | DL (loan) |
| SGI Octane/R12k-270 | R12000/R12010 270 MHz | DL (loan) |
| SGI Origin200/180 | R10000/R10010 180 MHz | DL |
| SGI Origin200/225 | R10000/R10010 225 MHz | DL |
| SGI O2 R5k/180 | R5000/R5010 180 MHz | DL (loan) |
| SGI O2 R5k/300 | R5000/R5000 300 MHz | Aberdeen |
| SGI O2 R10k/175 | R10000/R10010 175 MHz | UNCC |
| SGI O2 R12k/270 | R12000/R12010 270 MHz | DL |
| Stardent VISTRA-800 | - | DL (loan) |
| Stardent 1520 | - | DL |
| IBM Power1 RS/6000-550 | RS6000/41.6 MHz | Perugia |
| IBM Power1 RS/6000-340 | RS6000/33 MHz | DL (loan) |
| IBM Power1 RS/6000-320 | - | DL (loan) |
| IBM Power1 RS/6000-350 | RS6000/41.6 MHz | DL (loan) |
| IBM Power1 RS/6000-360 | RS6000/50 MHz | DL (loan) |
| IBM Power1 RS/6000-530H | RS6000/33 MHz | DL |
| IBM Power2 RS/6000-590 | RS6000/66 MHz | IBM |
| IBM Power1 RS/6000-370 | RS6000/62.5 MHz | DL |
| IBM PowerPC-250 | - | DL |
| IBM Power2 RS/6000-3CT | RS6000/72 MHz | DL (loan) |
| IBM PowerPC-25T | MPC601 66 MHz | DL |
| IBM Power2 RS/6000-3BT | RS6000/67 MHz | DL (loan) |
| IBM PowerPC-43P | MPC604 100 MHz | DL |
| IBM Power2 RS/6000-595 | RS6000/P2SC-135 MHz | IBM |
| IBM Power2 RS/6000-397 | RS6000/P2SC-160 MHz | DL (loan) |
| IBM Power3 RS/6000-43P | RS6000/Power3-200 MHz | DL (loan) |
| PCs | ||
| Netpower PC | Pentium Pro/200MHz | DL (loan) |
| AMD Athlon K7/600 | Microstar MS-6167 | RAL |
| AMD Athlon K7/500 | Microstar MS-6167 | DL (loan) |
| Pentium III/550 | Intel SE440BX (550MHz) | Berlin |
| Pentium III/500 | Birkbeck | |
| ProLiant PII/450 | Intel SE440BX (450MHz) | Compaq TestD |
| Pentium II/450 | Intel SE440BX (450MHz) | Porto |
| Pentium II/400 | Intel SE440BX (400MHz) | RAL |
| Pentium II/300 | Intel AL440LX (300MHz) | Perugia |
| Pentium II/266 | Intel AL440LX (266MHz) | DL |
| Dell Optiplex/266 | Intel AL440LX (266MHz) | Edinburgh |
| Pentium 233 MMX | Intel LT430TX (233MHz) | Sussex |
| Vector Supercomputers | ||
| CRAY YMP C98/4256 | - | SARA |
| CRAY YMP J90/10 | - | EPCC |
| NEC SX-4 | - | NL |
| FUJITSU VPP-300/3 | - | RAL |
| MPP Nodes | ||
| KSR-2 | KSR-2 node (80 MHz) | PNNL |
| Cray T3D/AXP-150 | AXP node (150 MHz) | Edinburgh |
| IBM SP2/66Thin | TN2 node (67 MHz) | DL |
| Cray T3E/900 | AXP node (450 MHz) | Berlin |
| Hitachi SR2201 | 300 Mflop node | Cambridge |
| IBM SP2/120Thin | P2SC node (120 MHz) | DL |
| IBM SP2/160Thin | P2SC node (160 MHz) | IBM (POK) |
| Cray T3E/1200E | AXP node (600 MHz) | Manchester |
| IBM SP/WII 375 | Winterhawk II node (375MHz) | DL |
M.F. Guest