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CCPEM  May 2016

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Subject:

Re: ftlk complaining about X11 lib

From:

Sjors Scheres <[log in to unmask]>

Reply-To:

Sjors Scheres <[log in to unmask]>

Date:

Wed, 18 May 2016 16:17:59 +0100

Content-Type:

text/plain

Parts/Attachments:

Parts/Attachments

text/plain (124 lines)

Hi Qiu-Xing,
Did you try compiling fltk-1.3.3 from source?
best,
Sjors

On 05/18/2016 03:49 PM, Jiang,Qiu-Xing wrote:
> Dear all,
>
> We tried flak-1.3.3 in the two new systems. It still complains about
> incompatibility.
> Our sys admin is saying that our newer systems will stop supporting the
> 32bit libraries. It is better to use the 64 bit fltk- packages compatible
> with the newest OS, such as 1.3.0-13.el7. I wonder if someone at this list
> might have tried similar packages and would be willing to share the
> experience.
>
> Thanks.
>
> Qiu-Xing
>
>
> On 5/13/16, 3:17 AM, "Sjors Scheres" <[log in to unmask]> wrote:
>
>> Hi Qiu-Xing,
>> You could try whether fltk-1.3.3 compiles on your system. You can get it
>> here: http://www.fltk.org/software.php The next release of relion will use
>> this as well. Hope it works!
>> Sjors
>>
>>
>>> Hi Sjors,
>>> Regarding the X11 lib issue we encountered, We compared the X11
>>> libraries
>>> in the two systems we started to use recently: the super- computer and
>>> the
>>> RHEL6 workstation. Relion 1.4 installation worked well in the first, but
>>> failed in the RHEL6. We had to update the X11 libraries in the
>>> workstation
>>> recently. The libX11 in the first is 1.5.0-4, and is 1.6.0-6 in the
>>> workstation. The fltk-1.3.0 in the relion-1.4 package complained that
>>> the
>>> 1.6.0-6 libX11 is not compatible. Is there a newer fltk package that
>>> would
>>> be compatible with 1.6.0-6 X11 and can be linked to relion 1.4?
>>>
>>> Thanks.
>>>
>>> Qiu-Xing
>>>
>>>
>>>
>>>
>>>
>>> On 5/11/16, 2:25 PM, "Collaborative Computational Project in Electron
>>> cryo-Microscopy on behalf of Sjors Scheres" <[log in to unmask] on
>>> behalf of [log in to unmask]> wrote:
>>>
>>>> Hi Harry,
>>>> Results may be somewhat different between SP and DP. In particular the
>>>> maximization (reconstruction) step is (somewhat) better (and definitely
>>>> more reproducible) in DP mode. I would advice only using SP if the
>>>> memory
>>>> is really needed. We've also seen a bit worse speed for SP. Probably
>>>> internally (some C-libs?), some floats are still cast to doubles.
>>>> HTH,
>>>> Sjors
>>>>
>>>>
>>>>> Hi,
>>>>>
>>>>> I am puzzled by the much lesser performance from the single precision
>>>>> Relion 1.4. Here is the info:
>>>>>
>>>>> CPU: Intel Xeon CPU E5-2667 v3
>>>>> System Ram: 512GB
>>>>>
>>>>> Number of particles: ~45K
>>>>> Window size: 400x400
>>>>>
>>>>> 3D Auto Refine time:
>>>>>
>>>>> Single Precision: 58 hours (44 iterations)
>>>>> Single Precision (with pre-read option): 53 hours (34 iterations)
>>>>> Double Precision: 36 hours. (37 iterations)
>>>>>
>>>>> Memory usage under SP was halved as expected. But it seems the
>>>>> floating
>>>>> point operation runs in emulation mode although the CPU has integrated
>>>>> FPUs, or did I not compile the code optimally for single precision?
>>>>>
>>>>> Also: SP final resolution for both runs before post-processing is
>>>>> 4.09804
>>>>> vs 4.05825 of DP.
>>>>>
>>>>> Thank you.
>>>>>
>>>>> Harry
>>>>>
>>>>
>>>> --
>>>> Sjors Scheres
>>>> MRC Laboratory of Molecular Biology
>>>> Francis Crick Avenue, Cambridge Biomedical Campus
>>>> Cambridge CB2 0QH, U.K.
>>>> tel: +44 (0)1223 267061
>>>> http://www2.mrc-lmb.cam.ac.uk/groups/scheres
>>
>> -- 
>> Sjors Scheres
>> MRC Laboratory of Molecular Biology
>> Francis Crick Avenue, Cambridge Biomedical Campus
>> Cambridge CB2 0QH, U.K.
>> tel: +44 (0)1223 267061
>> http://www2.mrc-lmb.cam.ac.uk/groups/scheres
>>

-- 
Sjors Scheres
MRC Laboratory of Molecular Biology
Francis Crick Avenue, Cambridge Biomedical Campus
Cambridge CB2 0QH, U.K.
tel: +44 (0)1223 267061
http://www2.mrc-lmb.cam.ac.uk/groups/scheres

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