Commit 7109ec0d authored by Dimitris Dellis's avatar Dimitris Dellis
Browse files

Update NAMD_README.md

parent c1d519c7
## Overview
[Download](#download)
[Build and Run](#build_run)
[Build and Run instructions using CUDA, KNC offloading and KNL.](#cuda_knc_knl)
## [Download](#download)
The official site to download namd is : [http://www.ks.uiuc.edu/Research/namd/](http://www.ks.uiuc.edu/Research/namd/)
......@@ -293,5 +289,7 @@ charmrun PATH_TO_namd2 ++p $P ++ppn $PPN ++nodelist ./hostfile +devices $OFFLOA
```
The run walltime is reported at the end of logfile : `grep WallClock: logfile | awk -F ' ' '{print $2}'`
Since version 2.13 one should also add ++mpiexec in charmrun arguments.
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