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--- cluster:164 [2017/11/17 17:28] – [FSL] hmeij07
+++ cluster:164 [2018/09/21 11:59] (current) – hmeij07
@@ Line 106: / Line 106: @@
 nvidia-smi -pm 0; nvidia-smi -c 0
 # gpu_id is done via CUDA_VISIBLE_DEVICES
-export CUDA_VISIBLE_DEVCES=$STRING_2
+export CUDA_VISIBLE_DEVICES=$STRING_2
 # on n78
 /usr/local/mpich-3.1.4/bin/mpirun -launcher ssh -f /home/hmeij/amber/nucleosome/hostfile \
@@ Line 195: / Line 195: @@
 Mapping of GPU IDs to the 16 PP ranks in this node: 0,0,0,0,1,1,1,1,2,2,2,2,3,3,3,3
 Performance:       19.814        1.211 (x16 = 317.024)
+# UPDATE Gromacs 2018, check out these new performance stats for -n 4, -gpu=4
+# K20, redone with cuda 9
+root@cottontail gpu]# egrep 'ns/day|Performance' 0[0-4]/md.log
+/md.log:                 (ns/day)    (hour/ns)
+/md.log:Performance:       74.275        0.323
+/md.log:                 (ns/day)    (hour/ns)
+/md.log:Performance:       74.111        0.324
+/md.log:                 (ns/day)    (hour/ns)
+/md.log:Performance:       73.965        0.324
+/md.log:                 (ns/day)    (hour/ns)
+/md.log:Performance:       74.207        0.323
+# GTX1080 cuda 8
+[hmeij@cottontail gpu]$ egrep 'ns/day|Performance' 0[1-4]/md.log
+/md.log:                 (ns/day)    (hour/ns)
+/md.log:Performance:      229.229        0.105
+/md.log:                 (ns/day)    (hour/ns)
+/md.log:Performance:      221.936        0.108
+/md.log:                 (ns/day)    (hour/ns)
+/md.log:Performance:      217.618        0.110
+/md.log:                 (ns/day)    (hour/ns)
+/md.log:Performance:      228.854        0.105
+Almost 900 ns/day for a single server.
 </code>