Re: [ccp4bb] workstation crystallography
The more recent integrated graphics chips, starting from the Intel HD3000, have adequate performance for crystallography. Really, most crystallography applications are less computationally demanding than video games now. I think the most important issue is to make sure your hardware plays nicely with your favorite linux distribution. Aloha, Ho Ho Leung Ng University of Hawaii at Manoa Assistant Professor, Department of Chemistry h...@hawaii.edu
Re: [ccp4bb] workstation crystallography
I will comment on specific features you might look for in a
crystallographic workstation, rather than brand names. I usually build
from parts rather than buy intact machines.
CPU: 3+ GHz per compute core is good these days. For a standard single
user desktop, 4 CPU cores is fine. More cores will allow you to run
multiple independent jobs, but will not speed up a single job. Server
chips may have 6 or 8 cores (or maybe even more, but then they start
cutting the clock speed). It's up to you to decide what kind of workload
this machine is likely to experience. (Those server CPUs will lack
on-chip graphics, but see the next point)
Graphics:
1) First question: do you want stereo 3D? If so, that places
restrictions on which graphics cards and which monitors are supported.
2) If the answer to 1 is no, then you have more freedom. I would not
recommend on-CPU graphics for a couple reasons.
a) Better graphics performance with separate graphics cards. Any
mid-range or better card should do.
b) An add-in graphics card will allow the CPU to run faster. This is
because the "turbo" feature built into modern CPU/GPU chips will slow
down the compute cores based on the total thermal load of all CPU/GPU cores.
Monitor: Get one with LED backlighting. Lasts longer and is more efficient.
RAM: More RAM is good, and it is relatively cheap at present. 8 GB
minimum, recommended 16 GB.
Storage ("disk" is now an anachronism): I strongly recommend a quality
SSD, at least for the OS. It makes a noticable difference in speed. 120
GB or more for the OS. If you need multi-terabytes of storage space for
data (and who doesn't?), get hard drives for that.
Ports: Gigabit (at least) ethernet to get on the network.
USB3.0 for connecting peripherals like portable drives. By next year I
will be recommending USB3.1, which will have higher data throughput,
higher power throughput and convenient symmetrical connectors.
Cheers,
On 11/11/14 08:27, abhishek jamwal wrote:
Dear ccp4 bb members,
I need to buy a desktop workstation for the purpose of running
crystallography related applications. I have short-listed HP's Z420
and Dell's T7600, I chose this because their configuration description
looks impressive (8 cores, 16 threads, 3.6 GHz processor etc.).
However, I have no practical idea about their performance.
Can anyone , who has experience with these workstations comment on
performance ? And whether these workstations are optimal/suboptimal
for the desired purpose ?
what other options do I have apart from dell and hp ? Please suggest.
*Is desktop iMac a good option for this purpose ?*
many thanx in advance
abhishek
--
===
All Things Serve the Beam
===
David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
schul...@cornell.edu
Re: [ccp4bb] workstation crystallography
I'm running home-built Ubuntu boxes with old, plain-vanilla CPUs (e.g., Q9300 or core i3/i5/i7) and 6-8Gbyte of RAM, and a cheap Nvidia video card (e.g. GT 9xxx or GT 620).This is more than sufficient to do routine structure solution. Any contemporary desktop or laptop computer should be sufficient, although if running Linux I have not had good luck with integrated Intel graphics. (If you want stereo display, you have to choose a compatible graphics card and video monitor.) It's not like the old days, where you needed special, dedicated hardware (remember Silicon Graphics?) to get the graphics and computing performance required. Current technology is more than sufficient for routine work. ___ Roger S. Rowlett Gordon & Dorothy Kline Professor Department of Chemistry Colgate University 13 Oak Drive Hamilton, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: rrowl...@colgate.edu On 11/11/2014 8:27 AM, abhishek jamwal wrote: Dear ccp4 bb members, I need to buy a desktop workstation for the purpose of running crystallography related applications. I have short-listed HP's Z420 and Dell's T7600, I chose this because their configuration description looks impressive (8 cores, 16 threads, 3.6 GHz processor etc.). However, I have no practical idea about their performance. Can anyone , who has experience with these workstations comment on performance ? And whether these workstations are optimal/suboptimal for the desired purpose ? what other options do I have apart from dell and hp ? Please suggest. *Is desktop iMac a good option for this purpose ?* many thanx in advance abhishek
[ccp4bb] workstation crystallography
Dear ccp4 bb members, I need to buy a desktop workstation for the purpose of running crystallography related applications. I have short-listed HP's Z420 and Dell's T7600, I chose this because their configuration description looks impressive (8 cores, 16 threads, 3.6 GHz processor etc.). However, I have no practical idea about their performance. Can anyone , who has experience with these workstations comment on performance ? And whether these workstations are optimal/suboptimal for the desired purpose ? what other options do I have apart from dell and hp ? Please suggest. *Is desktop iMac a good option for this purpose ?* many thanx in advance abhishek
