<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body style="overflow-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;">Hello Nathan,<div><br></div><div>What are your settings for MPI processes and OMP threads? On the machine I’m using (an older Intel machine with 48 physical cores per node and Omni-Path interconnect), I found good multi-node performance with 12 MPI processes per node and 4 OMP threads per process. Assigning all cores to MPI was nearly 3x slower and often resulted in memory issues. I did quite a bit of testing to come up with this configuration.</div><div><br></div><div>I imagine this could depend heavily on the type of job (mine are periodic cell optimizations and vibrational analysis, nothing fancy), so I definitely recommend doing some testing to see what works for you.</div><div><br></div><div>Cheers,</div><div>Eric</div><div><br><div><br><blockquote type="cite"><div>On Apr 11, 2023, at 2:19 PM, Nathan Keilbart <nathankeilbart@gmail.com> wrote:</div><br class="Apple-interchange-newline"><div><div>Hello,</div><div><br></div><div>I recently finished compiling on an intel based hpc machine and appear to have a working binary. I initially tested a case with a single node job and got what appears to be relatively good times. Upon increasing the number of nodes to two, I actually saw in increase in time per step instead of less. The nodes are connected with infiniband I believe so there shouldn't be an issue with node to node communication. I'm wondering if I set some flag wrong when compiling and what I should look into to find out what's going on here. Let me know what kind of information I can provide. Thanks</div><div><br>Nathan <br></div><div><br class="webkit-block-placeholder"></div>
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