No, it stems from a CUDA limitation, where if two+ ranks share a GPU then
mdrun can't get clean timing numbers.
Mark
On Jan 8, 2015 3:10 PM, Ebert Maximilian m.eb...@umontreal.ca wrote:
Dear list,
I was wondering why the log file does not always contains the same
information. In one of my configurations I got the following information:
GPU timings
-
Computing: Count Wall t (s) ms/step %
-
Pair list H2D 1251 0.5630.450 0.2
X / q H2D 50001 6.9980.140 2.9
Nonbonded F kernel 47500 212.1184.46686.7
Nonbonded F+ene k. 1250 9.3717.497 3.8
Nonbonded F+ene+prune k.1251 9.7597.801 4.0
F D2H 50001 5.8740.117 2.4
-
Total244.6834.894 100.0
-
Force evaluation time GPU/CPU: 4.894 ms/4.012 ms = 1.220
For optimal performance this ratio should be close to 1!
But I never got this information in any other configuration using GPUs. Is
this only part of the output if there is a problem with too much work for
the GPU?
Thank you very much,
Max
--
Gromacs Users mailing list
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
send a mail to gmx-users-requ...@gromacs.org.
--
Gromacs Users mailing list
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a
mail to gmx-users-requ...@gromacs.org.
