Hi Jan,
check out the CentOS article in CCP4 wiki ... in short, you want 64bit
if your machine has more than 3GB of memory. There are a few
crystallographic calculations that require >3GB of memory (and thus
require 64bit); SHELXL refinement of a protein with full-matrix
inversion is one such task.
64bit CentOS is a bit more work to set up than 32bit; essentially you
will find that you need many libraries in both the 64bit and the 32bit
versions. Once you get used to interpreting (and dealing with) the error
message about a missing library it's no longer a big deal.
The latest 8-core (2 * Quadcore; e.g. Dell T5400) workstations are very
suitable for xtallographic work, but not cheap. Quadcore machines can be
bought for about €500,- ... check out the Computer_hardware article in
CCP4 wiki.
HTH,
Kay
Jan Abendroth schrieb:
> Hi all,
> we are looking into a multicore Xeon number cruncher with loads of
> memory. Are there any known issues we should consider regarding large
> memory (>4GB), 32bit vs. 64bit, and ccp4 or other crystallographic
> programs running on these systems? Only thinking linux at this point...
>
> Thanks a lot for any input!
> Jan
>
> --
> Jan Abendroth
> deCODE biostructures
> Seattle / Bainbridge Island, WA, USA
> work: JAbendroth_at_decode.com
> home: Jan.Abendroth_at_gmail.com <http://Jan.Abendroth_at_gmail.com>
--
Kay Diederichs http://strucbio.biologie.uni-konstanz.de
email: [log in to unmask] Tel +49 7531 88 4049 Fax 3183
Fachbereich Biologie, Universitaet Konstanz, Box M647, D-78457 Konstanz
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