[gmx-users] GPU warnings

[Szilárd Páll]

The first warning indicates that you are starting more threads than the
hardware supports which would explain the poor performance.

Could share a log file of the suspiciously slow run as well as the command
line you used to start mdrun?

Cheers,

--
Szilárd


On Sun, Nov 4, 2012 at 5:32 PM, Albert <mailmd2011 at gmail.com> wrote:

> well, IC.
> the performance is rather poor than GTX590..... 32ns/day vs 4 ns/day
> probably that's also something related to the warnings?
>
> THX
>
>
>
> On 11/04/2012 01:59 PM, Justin Lemkul wrote:
>
>>
>>
>> On 11/4/12 4:55 AM, Albert wrote:
>>
>>> hello:
>>>
>>>   I am running Gromacs 4.6 GPU on a workstation with two GTX 660 Ti (2 x
>>> 1344
>>> CUDA cores), and I got the following warnings:
>>>
>>> thank you very much.
>>>
>>> ---------------------------**messages----------------------**
>>> -------------
>>>
>>> WARNING: On node 0: oversubscribing the available 0 logical CPU cores
>>> per node
>>> with 2 MPI processes.
>>>           This will cause considerable performance loss!
>>>
>>> 2 GPUs detected on host boreas:
>>>    #0: NVIDIA GeForce GTX 660 Ti, compute cap.: 3.0, ECC:  no, stat:
>>> compatible
>>>    #1: NVIDIA GeForce GTX 660 Ti, compute cap.: 3.0, ECC:  no, stat:
>>> compatible
>>>
>>> 2 GPUs auto-selected to be used for this run: #0, #1
>>>
>>> Using CUDA 8x8x8 non-bonded kernels
>>> Making 1D domain decomposition 1 x 2 x 1
>>>
>>> * WARNING * WARNING * WARNING * WARNING * WARNING * WARNING *
>>> We have just committed the new CPU detection code in this branch,
>>> and will commit new SSE/AVX kernels in a few days. However, this
>>> means that currently only the NxN kernels are accelerated!
>>> In the mean time, you might want to avoid production runs in 4.6.
>>>
>>>
>> I can't address the first warning, but the second is fairly obvious.
>>  You're not using an official release, you're using the development version
>> - let the user beware.  The code is not yet production-ready.
>>
>> -Justin
>>
>>
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