[gmx-users] a hard ware question
David van der Spoel
spoel at xray.bmc.uu.se
Tue Jul 23 15:08:06 CEST 2002
On Tue, 23 Jul 2002, Dr. Y. U. Sasidhar wrote:
>This may be naive...
>We are considering the purchase of a few dual processor pentium machines.
>1. Are SCSI hard disk and ECC ram essential ? That's the impression I
>received from the vendor.
>These items are relatively expensive.
You don''t need these things for MD, for quantum calculations a fast disk
could help you, but for MD a decent IDE is more than enough.
>2. I guess inner assembly loops work in PIV too or are they limited to
Yes, you definitely want either Dual Xeon P4, or dual athlon,. Check
benchmarks at www.gromacs.org
>3. If I were to run two serial mdruns will they be devided between the
>two processors ? Can we specify the node on which serial mdrun can run ?
No, the OS will not let you do that.
>4. Which graphics accelerator should I consider, so that vmd runs
Check info on VMD website. nvidia is good but not under GPL, Ati Radeon is
probably OK too.
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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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