==Hardware Description== Compute nodes are 2x Xeon E5-2698 v3 (32 cores) with 128GB of ram each. 1 Nvidia P4 gpu is available per node (8GB of vram per node). Storage is provided locally (use your home directory) or on NFS mounts at /nfs and /scratchfs. == Efficient usage considerations == === Storage=== * We used to have a nice wired 10gbe connection between the nodes and the headnode. Now we are forced to use Wifi to connect the nodes, so load all your data locally (preferably into /tmp, which is purged periodically), and then export completed results to /nfs * Use the local jupyter kernel whenever possible === Compute === * Use computecanada's precompiled stdenv/avx2 packages via [[cvmfs]] to take fullest advantage of the tuned binaries for cp2k. The cp2k packaged by ubuntu default repositories was not compiled to take advantage of the hardware that the xeon processors provide * When using gpu compute, cast everything to fp32. The tesla p4's performance on fp16 and fp64 are gimped severely.