Differences

This shows you the differences between two versions of the page.

--- namd [2020/09/21 21:58] – created root
+++ namd [2025/10/15 19:51] (current) – external edit 127.0.0.1
@@ Line 1: / Line 1: @@
 === Namd ====
-The namd-verbs-smp binary [[http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD]] version 2.11 or 2.12 is installed in /share/apps/NAMD on [[razor]] and [[trestles]].  It does not use MPI.
+The namd-verbs-smp binary [[https://web.archive.org/web/20181127065652/http://www.ks.uiuc.edu/Research/namd/benchmarks/]] version 2.11 or 2.12 is installed in /share/apps/NAMD on [[razor]] and [[trestles]].  It does not use MPI.
 This is for multiple-node runs with ''charmrun'' as the distributed component and ''namd2'' on each compute node. We have found most runs are faster with the ''+setcpuaffinity +isomalloc_sync'' options. charmrun ''++ppn'' should match PBS ''ppn=''.
 <code>
 module load namd/2.12  [or 2.11]
@@ Line 38: / Line 39: @@
 -core AMD    32   2.12    32    4   2.56    104        n/a
 </code>
+== 2020 Update ==
+Replicated a couple of old benchmarks and added some new versions and machines
+<code>
+Cores Node Type  ppn GPU version     nodes WallClock
+Intel Razor    16      2.12          1   242
+AMD Trestles   32      2.12          1   315
+Intel G6130    32      2.12          1   127
+Intel G6130    32      2.13          1   127
+AMD Epyc 7402  48      2.13          1    89
+Intel G6130    32      2.15a1-AVX512 1    76
+Intel G6130    32 V100 3.0a7-cuda    1    39
+AMD Epyc 7402  48      2.15a1-AVX2 needs recompilation
+</code>