[Fwd: CCL:[Fwd: Athlon SDR/DDR stats for *specific* gaussian98 jobs]]
Eugene.Leitl at lrz.uni-muenchen.de
Eugene.Leitl at lrz.uni-muenchen.de
Fri May 4 02:09:50 PDT 2001
-------- Original Message --------
From: "M. Nicklaus" <mn1 at helix.nih.gov>
Subject: CCL:[Fwd: Athlon SDR/DDR stats for *specific* gaussian98 jobs]
To: chemistry at ccl.net
CC: mn1 at helix.nih.gov
For what it's worth: Here's a recent small series of benchmarks we've run
on various Linux systems, plus a Cray and SGI Origin added for comparison.
Program: Gaussian 98 Rev. A.7. All executables exactly identical
for the Linux systems (copied between machines), compiled
w/ PGI v. 3.2 (on Linux), G.98 standard compilation (no
tuning/hacking).
Jobs run: G.98 test jobs # 1, 28, 94, 155, 194, 296, 302, aggregate
time, as reported in output, all runs single-CPU.
CPU Speed Chipset Kernel Distro glibc Memory HD/Contr. time
min. 256MB MHz, RPM (sec)
(all: U-ATA/)
P 4 1.5GHz Int. 850 2.4.2-2 RH 7.1 2.2.2-10 RDRAM-800 100, 7200 278
Athlon 1.33 VIA 686B 2.4.0 SuSE 7.1 2.2-7 DDR 266 66, 7200 299
P III 1 GHz Int. 815 2.4.3 (RH 6.1) 2.1.2 SDRAM 133 100, 7200 497
P III 1 GHz Int. 815 2.4.3 (RH 6.1) 2.1.2 SDRAM 133 100, 5400 497
P III 1 GHz Int. 815 2.2.12 RH 6.1 2.1.2 SDRAM 133 100, 7200 646
P III 1 GHz Int. 815 2.2.12 RH 6.1 2.1.2 SDRAM 133 100, 5400 646
P III 866MHz S/Works 2.4.3 (RH 6.2) 2.1.3-15 SDRAM 133 33, 7200 453
P III 866MHz S/Works 2.2.14 RH 6.2 2.1.3-15 SDRAM 133 33, 7200 526
SGI Origin 2000 921
Cray SV-1 2400
"(...)" in the Distro column denotes newer kernel than out-of-the-box.
Going from a 2.2 kernel to a 2.4 kernel seems to speed things up
considerably, at least on these systems. Hard drive and IDE
controller speeds appear to be near irrelevant for these jobs.
Marc
------------------------------------------------------------------------
Marc C. Nicklaus, Ph.D. NIH/NCI at Frederick
E-mail: mn1 at helix.nih.gov Bldg 376, Rm 207
Phone: (301) 846-5903 376 Boyles Street
Fax: (301) 846-6033 FREDERICK, MD 21702 USA
Head, Computer-Aided Drug Design MiniCore Facility
Laboratory of Medicinal Chemistry, Center for Cancer Research,
National Cancer Institute at Frederick, National Institutes of Health
http://rex.nci.nih.gov/RESEARCH/basic/medchem/mcnbio.htm
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