Subject: Current Benchmarks

From: "Mr. Berkley Shands" <[email-masked]>
Date: Fri, 29 Oct 1993 10:51:53 -0500

As is my usual policy, these benchmarks are provided FYI.

Receptor (TM - Tripos Associates) Beta Release version V2.4 timings for the ACE
series. Uniform distance space scanning at 0.05A maximum increment with 
Adaptive Scanning in modified mode applied.  All bonds Adaptively scanned.
Minimum scan factor 0.45 degrees, maximum scan factor 2.81 degrees.

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Benchmarks of the complete ACE series of 71 molecules Modified scan factors
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Elapsed Child_CPU System_CPU  Chargable Forks  Ratio
======= ========= ==========  ========= =====  =====

    979   912.880     37.650    887.840     7  0.937 SGI Indigo 48Mb -O2 (R3K/33Mhz)
    926   855.010     55.830    829.661     7  0.929 SGI 4d/380s 128Mb -O2 (R3K/33Mhz)

    740   587.350      9.200    557.883     7  0.805 DEC 3K/300L AXP 32Mb STD "CC" -O2
    726   562.350     11.650    533.950     7  0.785 DEC 3K/300L AXP 32Mb GEM "CC" -O4
    661   558.133      5.083    541.450     7  0.852 E&S ESV M120 -O2 (R3K/45Mhz)

    783   472.460      8.340    461.310     7  0.606 SGI Indigo2 64Mb -O2 -mips2 (R4K/50Mhz)
    481   453.650      3.917    430.500     7  0.953 DEC 3K/300 AXP 32mb STD "CC" -O2

    411   381.400      4.100    363.817     7  0.939 DEC 3K/300 AXP 32mb GEM "CC" -O4

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Notes:

Sun systems (SLOWLARIS) are not supported - No POSIX, No ANSI-C, No laundry :-)
	(Solaris 2.2+X11R5) on a SparcServer 2000 (dual 10/51's) Bad include
	files, no Motif (Gee, I wonder why :-), C compiler objects to
	prototype constructs. No "strerror" prototype.
IBM systems (AIX) are not supported - Very Bad Attitude, Compiler bugs (3.2.1)
	Code compiles, but runtime fails due to optimizer bugs.
	Non-ansi (non-prototyped) code runs. We threw out our RS/6000's
	as too expensive and not reliable.

The "GEM" compiler is in save set CMPDEVENH on the OSF/1 CD.
The "STD" compiler is the default "CC" for OSF/1.

"Child_CPU"  is the recorded total CPU for all forked processes, including
	     overhead and I/O.
"Elapsed"    is the recorded elapsed time from command line parsing to
	     the exit of the last child processes.
"System_CPU" is the recorded UNIX system overhead from the times() function
"Chargable"  is the algorithmic chargable time from initial rotations
	     to termination (child process CPU)

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