[gmx-users] problems for GPU simulations

[Szilárd Páll]

Hi,

If you have two GTX 590-s four devices should show up in nvidia-smi and
mdrun should also show four devices detected. As nvidia-smi shows only two
GPUs means that one of your cards is not functioning properly.

You can try to check what GPU devices does you operating system "see"
independently form the driver using the lspci command, e.g:
lspci | grep -i ".*VGA.*NVIDIA.*"

If you see two PCI devices in this output that means that both cards are
detected by the operating system. If nvidia-smi does not show all four
GPUs, there must be something wrong with your driver.

Cheers,

--
Szilárd


On Thu, Feb 7, 2013 at 5:08 PM, Albert <mailmd2011 at gmail.com> wrote:

> On 02/07/2013 01:34 PM, Szilárd Páll wrote:
>
>> Please make sure that nvididia-smi or the deviceQuery SDK tool show all
>> four GPUs. If that is the case and mdrun still shows only two, please file
>> a bug report with you OS info and a log file attached.
>>
>> Cheers,
>> --
>> Szilárd
>>
>
> no, it showed two. I don't know why it only work in beta version it can
> recognize 4 GPU, but in final version only 2.... The fact is that the beta
> version use -np 4 can get double speed. The GTX590 have two core, so two
> GPU have 4 core.
>
>
> here is the log for nvidia-sim:
>
> Thu Feb  7 17:27:10 2013
> +-----------------------------**-------------------------+
> | NVIDIA-SMI 2.285.05   Driver Version: 285.05.33 |
> |-----------------------------**--+----------------------+----**
> ------------------+
> | Nb.  Name                     | Bus Id        Disp.  | Volatile ECC SB /
> DB |
> | Fan   Temp   Power Usage /Cap | Memory Usage         | GPU Util. Compute
> M. |
> |=============================**==+======================+====**
> ==================|
> | 0.  GeForce GTX 590           | 0000:0C:00.0  N/A    | N/A        N/A |
> |   0%   55 C  N/A   N/A /  N/A |  22%  336MB / 1535MB |  N/A Default    |
> |-----------------------------**--+----------------------+----**
> ------------------|
> | 1.  GeForce GTX 590           | 0000:0B:00.0  N/A    | N/A        N/A |
> |  43%   57 C  N/A   N/A /  N/A |   0%    5MB / 1535MB |  N/A Default    |
> |-----------------------------**--+----------------------+----**
> ------------------|
> | Compute processes: GPU Memory |
> |  GPU  PID     Process name Usage      |
> |=============================**==============================**
> ==================|
> |  0.           ERROR: Not Supported
>    |
> |  1.           ERROR: Not Supported
>    |
> +-----------------------------**------------------------------**
> ------------------+
>
>
>
>
> here is the log for mdrun:
>
>
> Program mdrun_mpi, VERSION 4.6
> Source code file: /home/albert/Documents/2013-**
> 02-06/gromacs-4.6/src/gmxlib/**gmx_detect_hardware.c, line: 356
>
> Fatal error:
> Incorrect launch configuration: mismatching number of PP MPI processes and
> GPUs per node.
> mdrun_mpi was started with 4 PP MPI processes per node, but only 2 GPUs
> were detected.
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/**Documentation/Errors<http://www.gromacs.org/Documentation/Errors>
> ------------------------------**-------------------------
>
> "I Like You. I Will Kill You Last" (Tyler in Fishtank)
>
> Error on node 0, will try to stop all the nodes
> Halting parallel program mdrun_mpi on CPU 0 out of 4
>
>
> --
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