[gmx-users] Cuda not detected

[Andrzej Rzepiela]

Hey,

thank you for the hint. I just finished the tests. The machine is   
Intel xeon R, 12 cores , 4 Teslas M2090  and 96 gb of memory.
I used the most demanding PME dhfr benchmark system ( 7000w + protein)  
and obtained the following results:

1 cpu core run: 2.135 ns a day
12 cpu cores run: 21.478 ns a day

1 gpu unit run ( how many cpu cores are used, one ? ):   13.0 ns/day

4  parallel gpu runs on the node,  performance:   12.884, 10.296,  
8.290 and  6.953 ns/day, which is on average about  9.6 ns for one gpu.

 From your experience, are this expected numbers ? From the benchmarks  
on the website I had e feeling that the gpu runs will be faster.

Greetings

Andrzej





On Nov 17, 2011, at 2:26 PM, Ye MEI wrote:

> try
> nvidia-smi -a
> to see whether the GPU card has been correctly configured.
> This happens on my GPU node. Every time I reboot the computer, I  
> must reconfigure the GPU cards with "nvidia-smi -a" using root  
> account.
>
> Ye
> 2011-11-17
> From： Andrzej Rzepiela
> Date： 2011-11-17  21:01:07
> To： gmx-users
> CC：
> Subject： [gmx-users] Cuda not detected
> Hey,
> I am playing with the gpu version of mdrun and could make it run with:
> ~/gromacs/gpu/bin/mdrun-gpu -s topol.tpr -device
> "OpenMM:platform=Cuda,memtest=15,deviceid=0,force-device=yes"
> However after reboot of the machine ( which is a testing machine)
> I get the following error:
> -------------------------------------------------------
> Program mdrun-gpu, VERSION 4.5.5
> Source code file: /home/weber/gromacs/gromacs-4.5.5_gpu/src/kernel/
> openmm_wrapper.cpp, line: 1272
> Fatal error:
> The requested platform "Cuda" could not be found.
> echo $LD_LIBRARY_PATH:/opt/software/ganglia-3.1.7/lib64:/opt/software/
> htop-0.8.3:/usr/local/cuda/lib64:/usr/local/cuda/lib:/home/weber/
> OpenMM3.1.1-Linux64/lib
> echo $PATH/usr/local/bin:/usr/bin:/bin:/usr/X11R6/bin:/usr/games:/usr/
> lib64/jvm/jre/bin:/opt/software/nvidia/3.2.16/cuda/bin:/opt/software/
> ganglia-3.1.7/bin:/opt/software/htop-0.8.3/bin:/usr/lib/mit/bin:/usr/
> lib/mit/sbin:.:/usr/local/cuda/bin:/home/weber/cmake-2.8.6/bin
> I run a simple gpu test program and it  works.
> I believe something is not linked correctly, maybe someone can give me
> a hint.
> Thank You
> Andrzej
> -- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search 
>  before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> -- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search 
>  before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111117/c1347d34/attachment.html>