[gmx-users] strange GPU load distribution

Alex nedomacho at gmail.com
Thu Apr 26 05:52:30 CEST 2018


Hi all,

I am running GMX 2018 with gmx mdrun -pinoffset 0 -pin on -nt 24 -ntmpi 
4 -npme 1 -pme gpu -nb gpu -gputasks 1122

Once in a while the simulation slows down and nvidia-smi reports 
something like this:

|    1     12981      C gmx                                          
175MiB |
|    2     12981      C gmx                                          
217MiB |
|    2     13083      C gmx                                          
161MiB |
|    2     13086      C gmx                                          
159MiB |
|    2     13089      C gmx                                          
139MiB |
|    2     13093      C gmx                                          
163MiB |
|    2     13096      C gmx                                           
11MiB |
|    2     13099      C gmx                                            
8MiB |
|    2     13102      C gmx                                            
8MiB |
|    2     13106      C gmx                                            
8MiB |
|    2     13109      C gmx                                            
8MiB |
|    2     13112      C gmx                                            
8MiB |
|    2     13115      C gmx                                            
8MiB |
|    2     13119      C gmx                                            
8MiB |
|    2     13122      C gmx                                            
8MiB |
|    2     13125      C gmx                                            
8MiB |
|    2     13128      C gmx                                            
8MiB |
|    2     13131      C gmx                                            
8MiB |
|    2     13134      C gmx                                            
8MiB |
|    2     13138      C gmx                                            
8MiB |
|    2     13141      C gmx                                            
8MiB |
+-----------------------------------------------------------------------------+

Then goes back to the expected load. Is this normal?

Thanks,

Alex



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