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Tuesday, August 17, 2004

Using AMBER

Well I have gotten AMBER running on one of our machines. The next key task is to get it running on a cluster of SGI's using a batch submit script. The version I got running is on an Onyx and takes a fair amount of time to run. We have got to get the performance better.

#Processors | Time
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1 | 11 minutes / run
2 | 7.5 minutes / run
4 | 6 minutes / run
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And these were for relatively small structures.

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