Yes if your motherboard supports it.
On 3/12/14, 6:50 AM, "Gustavo Seabra" <gustavo.seabra.gmail.com> wrote:
>Hi Ross,
>
>Will P2P support work out-of-the-box on current GPU cards (such as GTX
>780)?
>
>Gustavo Seabra
>
>
>
>On Mar 11, 2014, at 8:57 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
>
>> It will work with PCI-E gen 2 x16 just not as well as Gen 3 - Existing
>> GPUs, say up to K40 will probably be ok in Gen 2 - beyond that, 780TI,
>> Titan-Black and K... the GPUs themselves will likely be so quick that
>>they
>> saturate the PCI-E bus for Gen 2.
>>
>> Note, the nice thing with the peer to peer support is that it will run
>> awesome on twin GPU cards - I.e. GTX690, (790 if it appears), K10 and
>>...
>>
>> All the best
>> Ross
>>
>>
>>
>> On 3/11/14, 3:31 PM, "filip fratev" <filipfratev.yahoo.com> wrote:
>>
>>>
>>>
>>> Hi Ross,
>>> Only PCI-E gen 3 x 16 slots? What about PCI-E gen 2 x 16 slots?
>>>
>>> Regards,
>>> Filip
>>>
>>>
>>>
>>>
>>> On Wednesday, March 12, 2014 12:25 AM, Ross Walker
>>> <ross.rosswalker.co.uk> wrote:
>>>
>>> Hi Kshatresh,
>>>
>>> What do you mean by double computational efficiency? For GPU AMBER the
>>> performance is determined almost exclusively (with a few minor
>>>caveats) by
>>> the GPU. AMBER 14 will be about 30% faster than AMBER 12 across the
>>>board
>>> for PME calculations - substantially faster for NPT if you use the new
>>> Monte Carlo Barostat. It will also support peer to peer across 2 x 2
>>>GPUs
>>> on most motherboards. That is you can run peer to peer parallel on GPUs
>>> connected to the same IOH controller - which effectively means CPU
>>>socket
>>> as long as those cards are on PCI-E gen 3 x 16 slots or better. 4 way
>>>peer
>>> to peer will be supported at some point (the code will support it
>>> natively) but the hardware itself does not exist yet (we are ahead of
>>>the
>>> hardware curve for once! :-) ).
>>>
>>> Let me know some more details about what you want to simulate, the sort
>>> performance you are after and I can let you know what GPU models, what
>>> settings etc to try. Note AMBER 14 will also support hydrogen mass
>>> repartitioning so in principal you can run at 4fs time step. This gets
>>>you
>>> to around 380+ ns/day for a JAC NPT run (4fs) with two
>>>GTX-Titan-Blacks. -
>>> Note we are waiting on a fix from NVIDIA before the Titan Black will
>>> actually be usable with AMBER - at present calculations diverge or
>>>crash
>>> within about 15 minutes or so. I am confident that a fix will be
>>>possible
>>> though (it was for the original Titans so stay tuned).
>>>
>>> All the best
>>> Ross
>>>
>>>
>>> On 3/11/14, 2:35 PM, "Kshatresh Dutta Dubey" <kshatresh.gmail.com>
>>>wrote:
>>>
>>>> Thank you Dr. Ross, I will contact Mike for desired configurations.
>>>> Although I have previous quote for Model Quantum TXR413-512R but I
>>>>need
>>>> almost double computational efficiency relative to that one.
>>>> Regards
>>>> Kshatresh
>>>>
>>>>
>>>> On Tue, Mar 11, 2014 at 9:31 PM, Ross Walker <ross.rosswalker.co.uk>
>>>> wrote:
>>>>
>>>>> Hi Kshatresh
>>>>>
>>>>> Let me put you in touch with Mike Chen at Exxact Corp (cc'd here).
>>>>> Exxact
>>>>> are our hardware partners for building AMBER Certified GPU machines.
>>>>> They
>>>>> can quote you a system that is optimized price/performance wise for
>>>>> running AMBER. It will ship fully tested, certified and warrantied.
>>>>> They
>>>>> can also customize the machine to your specific requirements and
>>>>> budget.
>>>>>
>>>>> Please see the following pages:
>>>>> http://ambermd.org/gpus/recommended_hardware.htm#hardware
>>>>>
>>>>> and
>>>>>
>>>>> http://exxactcorp.com/index.php/solution/solu_list/65
>>>>>
>>>>> for more info.
>>>>>
>>>>> All the best
>>>>> Ross
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>> On 3/11/14, 9:46 AM, "Kshatresh Dutta Dubey" <kshatresh.gmail.com>
>>>>> wrote:
>>>>>
>>>>>> Dear all,
>>>>>>
>>>>>> We have to purchase GPU machine suitable for next release of Amber
>>>>> 14. We
>>>>>> have to run the MD simulations for a large system (about 100K
>>>>>>atom). I
>>>>>> will
>>>>>> be thankful if someone suggests me for the best configurations. Our
>>>>> grant
>>>>>> allows us for 20K USD.
>>>>>> Thanks in advance
>>>>>> Kshatresh
>>>>>>
>>>>>> --
>>>>>> _______________________________________________
>>>>>> AMBER mailing list
>>>>>> AMBER.ambermd.org
>>>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>>>
>>>>>
>>>>>
>>>>> _______________________________________________
>>>>> AMBER mailing list
>>>>> AMBER.ambermd.org
>>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>>>
>>>>
>>>>
>>>>
>>>> --
>>>> With best regards
>>>>
>>>>***********************************************************************
>>>>**
>>>> *
>>>> **********************
>>>> Dr. Kshatresh Dutta Dubey
>>>> _______________________________________________
>>>> AMBER mailing list
>>>> AMBER.ambermd.org
>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>
>>>
>>>
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>>
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Received on Thu Mar 13 2014 - 09:00:03 PDT
