Thanks for pointing out that link. The graph makes the point I was going to
mention, i.e. that you notice a big difference in using up to about 4
processors for typical jobs, but after that point the non-parallelisable parts
of the code start to dominate and there's less improvement. This is v
Le Tue, 8 Nov 2011 16:25:22 -0800,
Nat Echols a écrit :
> On Tue, Nov 8, 2011 at 4:22 PM, Francois Berenger
> wrote:
> > In the past I have been quite badly surprised by
> > the no-acceleration I gained when using OpenMP
> > with some of my programs... :(
You need big parallel jobs and avoid sy
On 11/09/2011 07:21 PM, Pascal wrote:
Le Tue, 8 Nov 2011 16:25:22 -0800,
Nat Echols a écrit :
On Tue, Nov 8, 2011 at 4:22 PM, Francois Berenger
wrote:
In the past I have been quite badly surprised by
the no-acceleration I gained when using OpenMP
with some of my programs... :(
You need big
On 11/09/2011 11:53 AM, Francois Berenger wrote:
On 11/09/2011 07:21 PM, Pascal wrote:
I have more problems with L2 misse cache events and memory bandwidth. A
quad cores means 4 times the bandwidth necessary for a single process...
If your code is already a bit greedy, the scale up is not good.
--
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen, Germany
Tel. +49-551-39-3021 or -3068
Fax. +49-551-39-22582
--- Begin Message ---
In my experience, writing efficient multithreaded code is much harder
than writing efficient
Hi All,
Is it possible to define twin operator and twin fraction in the latest version
of Refmac (i.e., in version 5.6.0117) ?
I tried to define these two keywords in Buccaneer but it fails with an error
message "Refmac_5.6.0117: Problem in some of the instructions".
Please help me to fix this.
Hi Kiran,
Yes! Indeed, Refmac (in Buccaneer) automatically calculates twin operators
> and fractions.
> But these values are slightly different from those calculated from Xtriage
> (Though twin operators are equivalent twin fractions is different).
>
phenix.xtriage estimates the twin frac
On Tue, 8 Nov 2011, Gerard DVD Kleywegt wrote:
Relevant to the discussion about archiving image data:
http://federalregister.gov/a/2011-28621
Interesting that it quotes MIAME (minimum information about a microarray
experiment) as an example of community-driven standardisation. When
Dear All,
I have a small molecule single crystal. I want to solve its structure by x-ray
diffraction.
Could you please teach me how to collect the diffraction data?
I have some experience with protein crystals. But it's the first time for small
molecule.
I don't how to set the parameters, l
I also found this interesting:
http://www.datadryad.org/
Ashley.
From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] On Behalf Of Peter Keller
[pkel...@globalphasing.com]
Sent: Wednesday, November 09, 2011 8:25 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [cc
Ah - we've come full circle!
Sent via BlackBerry by AT&T
-Original Message-
From: Pengfei Fang
Sender: CCP4 bulletin board
Date: Thu, 10 Nov 2011 05:28:09
To:
Reply-To: Pengfei Fang
Subject: [ccp4bb] small molecule crystal data collection
Dear All,
I have a small molecule single cr
We are looking for a X-ray crystallographer with additional experience in other
biophysical methods. Please contact me if you have any questions. The
advertisement follows.
-Dirk
Protein Crystallographer/Biophysicist - Investigator III, Req # 89655BR
Novartis Institutes of BioMedical Researc
Thank everyone for trying to help me!
I am going to synchrotron.
As Bernie said, I will try to use the closest distance, and 5-10deg.
Thanks again!
Pengfei
On 11/9/11 5:13 PM, "Santarsiero, Bernard D." wrote:
You can collect 5-10deg images, and go ahead and collect 360deg. I usually
use 1-3
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