[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.
> Sasidhar
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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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