Re: HP vs. IBM



Mark Murcko <markm $#at#$ predator.vpharm.com> writes:
 >We are currently starting an evaluation of the HP 720 and 730 vs. the
 >IBM 550.  Does anyone have any information that they would like to
 >share with the group?
 Here are a few timings for the NDSU GAMESS codes ported to
 the HP Cobra workstations.  The benchmarks are the standard BENCH*.INP
 tests included on the 10/90 GAMESS distribution tape; they represent
 "typical"
 quantum chemical computations using RHF, MCSCF, CI, and gradient methods.
 Identical codes were used on all machines, but native blas routines and
 the highest level of compiler optimization were used whenever possible.
 Machines were *not* dedicated for benchmarking (but with the exception
 of the YMP (see below) the additional load was very low).  All jobs
 were run with a limit of 750 000 words in the GAMESS dynamic memory pool.
 Times are given as user/system times in seconds.  The number in
 parentheses is the total time normalized to the performance of
 the Cray YMP.
      Sun Sparcstation      Dec     IBM       HP 9000   HP 9000  CRAY
 Test   SS1       SS2      DS5000   RS6000      720       730    YMP
      --------  --------  --------  --------  --------  -------  --------
 0   4792/303  1099/145     ---      ---     737/ 39      ---    720/27
        (6.8)    (1.7)                         (1.0)              (1.0)
 1    253/ 32   104/ 16    80/ 21    46/ 7    36/  4     32/ 3    18/ 2
       (14.3)    (6.0)      (5.1)    (2.7)     (2.0)     (1.8)    (1.0)
 2    260/ 20   112/ 11   103/ 17    99/ 8    72/  4     56/ 2    22/ 2
       (11.7)    (5.1)      (5.0)    (4.5)     (3.1)     (2.4)    (1.0)
 3    794/168   354/ 92   266/108   210/36   145/ 22    139/17    78/ 7
       (11.3)    (5.2)      (4.4)    (2.9)     (2.0)     (1.8)    (1.0)
 4    936/146   402/ 84   295/ 98   169/48   128/ 20    124/16    72/ 6
       (13.9)    (6.2)      (5.0)    (2.8)     (1.9)     (1.8)    (1.0)
 5  12708/736  5612/424  3917/395  1737/191 2102/100   1592/82   316/47
       (37.0)    (16.6)     (11.9)   (5.3)     (6.1)     (4.6)    (1.0)
 6    431/ 95   198/ 55   158/ 46   136/27    96/ 16     88/13    38/11
       (10.7)    (5.1)      (4.2)    (3.3)     (2.3)     (2.1)    (1.0)
 7   5256/378  2203/268   1963/243 1124/117 1110/ 62    857/52   267/31
       (18.9)    (8.3)      (7.4)    (4.2)     (3.9)     (3.1)    (1.0)
 8  22250/3148  9322/1775   ---    2903/816 2864/384     ---    1790/110
       (13.4)    (5.8)               (2.0)     (1.7)              (1.0)
 10  1015/ 68   431/ 37   332/ 41   185/ 14  134/  8    110/6     69/ 3
       (15.0)    (6.5)       (5.2)   (2.8)     (2.0)     (1.6)    (1.0)
 12  7546/995  3338/572     ---    1137/255  942/110     ---     475/32
       (16.8)    (7.7)               (2.7)     (2.1)              (1.0)
 MACHINES
 SS1,SS2 Sun Sparcstation 1, 2 (quantum, mermaid) running OpenWindows 2.0,
         SunOS 4.1.1,  f77 1.3.1 / cc 1.0, -cg89 -dalign -Bstatic -O3 -libmil
 DS5000  DecStation 5000 (ultra)
         Ultrix 4.1, MIPS f77 2.10 -O2 -G 0.
 RS6000  IBM RS6000 m530 (ibmr6000)
         AIX 3.1, xlf 1.01, -O -L/lib -lblas.
         GAMESS modules scflib, gamess, statpt, hss2b, and inputb
         GAVE INCOrrect results with xlf -O; these modules
         were compiled without optimization.
 HP 9000/720 HPUX 8.01, f77 -O
 HP 9000/730 HPUX 8.05, f77 -O
 CRAYYMP Cray YMP/332 (sabre)
         UniCOS 5.1, cft77 3.1.1 -O full,nozeroinc -Zp, cc -O -h
         intrinsics,olevel_3. libsci blas were used.  System load was such
         that these jobs received 5-10% of a 3-cpu machine.
 BENCHMARKS
 1.   GAMESS RHF SiC_2 H_6, with a 61 AO basis set. Mostly scalar.
      Uses 14 Mb of disk.
 2.   GAMESS MCSCF, SiH2, with a 29 AO basis set and 51 CSF's. Vectorizable.
      Uses 5 Mb of disk.
 3.   GAMESS second order CI, Si_2 H_4, with a 46 AO basis and 4600
      CSF's.  The calculation involves out-of-core sorts on large
      disk files. Uses 64 Mb of disk.
 4.   GAMESS RHF SiC_3 H_8, with an 80 AO basis set. Mostly scalar.
      Uses 38 Mb of disk.
 5.   GAMESS MCSCF + gradient, C_3H_4, with a 53 AO basis and 20 CSFs.
      MCSCF is vectorizable, gradient is mostly scalar. Uses 84 Mb
      of disk.
 6.   GAMESS CI transition, O2+, 60 AO basis, 504 CSF's. Vectorizable.
      Uses 43 Mb of disk.
 7.   GAMESS MCSCF OHBr, with 49 AO's and 110 CSF's, requiring 55 Mb of disk.
      Vectorizable.
 8.   GAMESS GVB-PP, SnC_5H_6, with 96 AO's and 6 CSF's. Uses 105 Mb of disk.
 10.  GAMESS ROHF gradient calculation on P_2 H_4+, with a 56 AO basis set,
      requiring 14 Mb of disk.
 12.  GAMESS RHF + gradient, SbC4H4NO2, with 110 AO's, requiring 111 Mb of
      disk. Mostly scalar.
 -----
 Fred Senese, MS 234 (804) 864-4777 | senese $#at#$ schug.larc.nasa.gov
 (128.155.22.47)
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