[gmx-users] Results from different OS
Taeho Kim
taeho.kim at utoronto.ca
Wed Aug 21 17:51:41 CEST 2002
Thank for your email.
Two machines Mac G4-733 and G4-500 created the results. I am not sure of their math libraries. I think different process cause the different results. I was able to compare "demo" on two Mac G4-500 and G4-533. The results (500MHz vs 533Mhz) are identical.
Thanks,
Taeho
-----원본 메시지-----
보낸 사람: David van der Spoel <spoel at xray.bmc.uu.se>
받는 사람: Oliver Beckstein <oliver at bioch.ox.ac.uk>
참조: Taeho Kim <taeho.kim at utoronto.ca>; gmx-users at gromacs.org <gmx-users at gromacs.org>
날짜: 2002년 8월 21일 수요일 오전 5:00
제목: Re: [gmx-users] Results from different OS
>On Wed, 2002-08-21 at 01:00, Oliver Beckstein wrote:
>> Oliver
>>
>>
>> > <==== A V E R A G E S ====>
>> > <== ############### ======>
>> >
>> > Energies (kJ/mol)
>> > Angle Proper Dih. Improper Dih. LJ-14 Coulomb-14
>> > G4-733 2.15026e+02 8.06167e+01 6.81252e+01 9.62579e+01 1.36965e+03
>> > G4-500 2.13609e+02 8.19542e+01 6.89880e+01 1.00765e+02 1.36812e+03
>> >
>The real question should be: are these the same processor types? If they
>are, then the results should be identical. If there is a difference in
>processor, or e.g. in OS libraries (math lib.) then that could also
>cause a difference.
>
>
>>
>--
>Groeten, David.
>________________________________________________________________________
>Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
>Husargatan 3, Box 576, 75123 Uppsala, Sweden
>phone: 46 18 471 4205 fax: 46 18 511 755
>spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>
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