Re: NAMD 2.7 released

From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Thu Mar 17 2011 - 17:58:46 CDT

Dear Jim,

Do you happen to have the charmm++ compiled for Clustermatic 4 that you
used for the Clustermatic version of NAMD? I need to compile NAMD myself
because I need to patch it.

Thanks!

      Gianluca

On Wed, 20 Oct 2010, Gianluca Interlandi wrote:

> Thank you very much! It seems to be up to 40% faster than the 2.6 version,
> although I am not running the cluster at full load yet.
>
> Gianluca
>
> On Wed, 20 Oct 2010, Jim Phillips wrote:
>
>>
>> I have a 32-bit Clustermatic 4 build:
>>
>> http://www.ks.uiuc.edu/~jim/tmp/NAMD_2.7_Linux-x86-Clustermatic4.tar.gz
>>
>> -Jim
>>
>>
>> On Tue, 19 Oct 2010, Gianluca Interlandi wrote:
>>
>>> Hi Jim,
>>>
>>> This is great! Is there also a compiled version for Clustermatic 5?
>>>
>>> Thanks,
>>>
>>> Gianluca
>>>
>>> On Tue, 19 Oct 2010, Jim Phillips wrote:
>>>
>>>> Hi all,
>>>>
>>>> I pushed 2.7 out the door on Friday. There have been over 180 downloads
>>>> and no complaints so far. The only significant change since 2.7b4 is
>>>> that the CUDA build now calculates the full pressure tensor and therefore
>>>> supports anisotropic periodic cell fluctuations. The extra bonds feature
>>>> has also been documented in the user guide.
>>>>
>>>> For new information and installation at Abe, Ranger, and Kraken see
>>>> http://www.ks.uiuc.edu/Research/namd/wiki/?Namd27Release
>>>>
>>>> I have just discovered that since 2.7b3 the charmrun for net versions
>>>> does not tolerate being suspended with control-Z or kill -STOP like it
>>>> used to. I will update the 2.7 packages with a fixed charmrun when it is
>>>> available.
>>>>
>>>> Thanks for your patience and support!
>>>>
>>>> -Jim
>>>>
>>>>
>>>
>>> -----------------------------------------------------
>>> Gianluca Interlandi, PhD gianluca_at_u.washington.edu
>>> +1 (206) 685 4435
>>> http://artemide.bioeng.washington.edu/
>>>
>>> Postdoc at the Department of Bioengineering
>>> at the University of Washington, Seattle WA U.S.A.
>>> -----------------------------------------------------
>>>
>>
>> NAMD: Scalable Molecular Dynamics
>> http://www.ks.uiuc.edu/Research/namd/
>>
>
> -----------------------------------------------------
> Gianluca Interlandi, PhD gianluca_at_u.washington.edu
> +1 (206) 685 4435
> http://artemide.bioeng.washington.edu/
>
> Postdoc at the Department of Bioengineering
> at the University of Washington, Seattle WA U.S.A.
> -----------------------------------------------------
>

-----------------------------------------------------
Gianluca Interlandi, PhD gianluca_at_u.washington.edu
                     +1 (206) 685 4435
                     http://artemide.bioeng.washington.edu/

Postdoc at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
-----------------------------------------------------

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