[gmx-users] problems for GPU simulations

[Albert]

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
-------------------------------------------------------

"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