Hello,<br><br>I was wondering what the scale up was with GROMACS 3.3.1 on 8 or 16 processors. Here are my benchmarks:<br><br>Hardware: Dell PowerEdge 2950, 2x 2,66Ghz Intel Woodcrest CPUs, 8 GB Ram, 2x Gigabit Ethernet<br>
<br>GROMACS 3.3.1: 240000 atoms, PME, 1.0 nm real cutoff<br><br>processors ns/day<br>1 0.141<br>2 0.253<br>4 0.409<br>8 0.232<br>16 0.107<br><br><br>Do I need to recompile with some other options ? Or is this the best I can get ? Will another type of network improve performance ? It seems communication is the rate limiting step for 8 or 16 cores ?
<br><br>Thank you for the help,<br><br>-Maria<br><br clear="all"><br>-- <br>Maria G.<br>Technical University of Denmark<br>Copenhagen