[gmx-developers] mdrun not working with VERSION 3.3_beta_20050202

[Erik Lindahl]

Hi Florian,

Thanks - I'll try to go through these in detail.

One detail - I noticed you had an EM64T machine. Was that hardware 
correctly identified as x86-64, and what does the logfile say - is it 
using the x86-64 assembly loops?

Intel released 64-bit versions of icc/ifort very recently, but you 
might need to log on to your support account to find the necessary 
files.

Finally, Gflops isn't the best measure (but I think it will be fine 
here), since the purpose of many optimizations is to get rid of 
unnecessary calculations. This will usually lower the Gflop rate, but 
absolute performance counted as simulated time/second increases :-)


Cheers,

Erik




On Feb 16, 2005, at 4:10 PM, Florian Haberl wrote:

> <benchmark>
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