<div dir="ltr">Hey all,<div><br></div><div>I'm trying to benchmark parallel casscf jobs for a system to see how much speed-up we can get.</div><div>However, at higher numbers of cores, the jobs seem to massively slowdown at the mcscf program. And by massive I mean my 10 core job finished in 2 hrs, my 20 and 30 cores are still running at 15+ hrs. </div>
<div><br></div><div>I checked that I'm actually running in parallel in the higher core jobs by going into the node and using the "top" command and seeing the requisite amount of processes. I also see speedups for the hf portion of the jobs, which is another good sign. Thus parallel seems to work, and so I imagine the problem is with the mcscf program? </div>
<div><br></div>
<div>So I'm wondering if anyone knows something about the parallelism in the mcscf program that I don't?</div><div><br></div><div>Thanks,</div><div>Alan Chien</div><div><br></div><div>Ps - below is my input.</div>
<div><br></div><div>***,benching</div><div><span style="font-family:arial,sans-serif;font-size:13px">memory,400,m</span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">file,2,molpro_test</span><br style="font-family:arial,sans-serif;font-size:13px">
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<br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">{forces; varsav}</span><br></div><div><span style="font-family:arial,sans-serif;font-size:13px">___</span></div>
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