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Profile Andre Kerstens
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Message 3120 - Posted 26 Apr 2007 21:37:05 UTC
Last modified: 26 Apr 2007 21:41:15 UTC

* Bug fix to append info to summary.txt
* Mods to be able to handle new charmm.inp
* Decreased checkpointing frequency
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D@H the greatest project in the world... a while from now!

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Message 3383 - Posted 4 Jun 2007 4:58:01 UTC

Will the new Application anounced on the front page news fix the long processing times on Linux, and get the Windows/Linux/Darwin thing all evened out?
I have 3 AMD Opteron computers, running Linux, that I have had to to remove to other projects due to cobblestones granted dropping to around 7 per hour due to the long processing times (around 7 hours compared to 1.5 hours for a AMD 4800 Windows machine).
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Memo
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Message 3384 - Posted 4 Jun 2007 6:05:50 UTC

I think that charmm source was not touched in this case but I can ask around.

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Profile Michela
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Message 3385 - Posted 4 Jun 2007 13:16:10 UTC

We will change the complex and we will also increase the complexity of the docking model. Consequently we have also to update the version of charmm that we are using because the charmm that we are using now does not include some features needed in the new docking model. The new charmm has to be tested once again on Linux and Windows. We have integrated BOINC in the Linux version of charmm and now we plan to do the same for the Windows version. The testing will follow. We will keep you posted!

Michela
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If you are interested in working on Docking@Home in a great group at UDel, contact me at 'taufer at acm dot org'!

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lizajennifer

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Message 7022 - Posted 26 Jan 2013 5:24:52 UTC

Hi there,it's really useful information thanks for the help .
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Message boards : Application Info : charmm_5.7_i686-pc-linux-gnu

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