[gmx-users] gromacs 5.1.2 mdrun can't detect GPU
stephane.teletchea at univ-nantes.fr
Fri Apr 22 18:40:27 CEST 2016
Le 22/04/2016 14:33, Szilárd Páll a écrit :
> Additionally, I suggest amending the post to note that the GDK and NVML
> that's picked up from it is optional and it is only useful with
> Quadro/Tesla cards.
I hope I'll find time to produce a proper bug report, but using the
with the ubuntu cuda runtime (so exact same version) 352.xx (same for
cuda and nvidia driver),
gromacs failed to detect the GPU. Up-to-now I have not traced down where
the problems lies.
This was I think already stated in the previous entry (section at the
end: To sum up*
avoid ubuntu packages and install upstream drivers and dependencies*.)
But since it seems not clear enough I have corrected some typos and
added the disclaimer
as requested. I hope Gromacs developper do not feel "angry", this was
not my goal, I am a long
term GNU/Linux contributor and keen to echaustive bug reports. This
article was more a short recipe
to get it working and not a complaint.
I hope the clarifications on the web site are now better, and this it
may help others
in getting a proprely working installation ...
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