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

Erik Lindahl lindahl at sbc.su.se
Wed Feb 16 16:24:03 CET 2005

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 

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 :-)



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

> <benchmark>
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