Re: [AMBER] cuda versions advice

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 02 Sep 2014 14:02:43 -0700

To add some info.

CUDA 6.5 is supported as of last week for AMBER 14 - see update.6

The 5% perf regression over cuda 5.0 still exists in 6.5 though so 5.0 is
still the recommended version. I believe a fix for the perf regression is
planned for cuda 7.0.

All the best
Ross



On 9/2/14, 1:26 PM, "Scott Le Grand" <varelse2005.gmail.com> wrote:

>The first rule of PMEMD Club is CUDA 5.0
>
>The second rule of PMEMD Club is CUDA 5.0.
>
>Were you thinking of building with 5.5, 6.0, or 6.5? OK. sure. We'll
>throw in a 5-10% unfixable perf regression (compiler bug introduced in
>5.5)
>for no additional charge.
>
>Scott
>
>
>
>On Tue, Sep 2, 2014 at 12:50 PM, Scott Brozell <sbrozell.rci.rutgers.edu>
>wrote:
>
>> Hi,
>>
>> Are there particular reasons to build Amber14 with a specific cuda
>>version
>> among 5.0, 5.5, and 6.0 ? (aside from newer is better)
>>
>> When is Amber support for cuda 6.5 expected ?
>>
>>
>> The target machine has
>> +------------------------------------------------------+
>> | NVIDIA-SMI 331.62 Driver Version: 331.62 |
>>
>>
>>|-------------------------------+----------------------+-----------------
>>-----+
>> | GPU Name Persistence-M| Bus-Id Disp.A | Volatile
>>Uncorr.
>> ECC |
>> | Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util
>>Compute
>> M. |
>>
>>
>>|===============================+======================+=================
>>=====|
>> | 0 Tesla M2070 On | 0000:11:00.0 Off |
>> 0 |
>> | N/A N/A P0 N/A / N/A | 672MiB / 5375MiB | 83% E.
>> Thread |
>>
>>
>>+-------------------------------+----------------------+-----------------
>>-----+
>> | 1 Tesla M2070 On | 0000:14:00.0 Off |
>> 0 |
>> | N/A N/A P0 N/A / N/A | 621MiB / 5375MiB | 87% E.
>> Thread |
>>
>>
>>+-------------------------------+----------------------+-----------------
>>-----+
>>
>> CUDA Device Query (Runtime API) version (CUDART static linking)
>>
>> Detected 2 CUDA Capable device(s)
>>
>> Device 0: "Tesla M2070"
>> CUDA Driver Version / Runtime Version 6.0 / 5.0
>> CUDA Capability Major/Minor version number: 2.0
>> Total amount of global memory: 5375 MBytes (5636554752
>> bytes)
>> (14) Multiprocessors x ( 32) CUDA Cores/MP: 448 CUDA Cores
>> GPU Clock rate: 1147 MHz (1.15 GHz)
>> Memory Clock rate: 1566 Mhz
>> Memory Bus Width: 384-bit
>> L2 Cache Size: 786432 bytes
>> Max Texture Dimension Size (x,y,z) 1D=(65536),
>> 2D=(65536,65535), 3D=(2048,2048,2048)
>> Max Layered Texture Size (dim) x layers 1D=(16384) x 2048,
>> 2D=(16384,16384) x 2048
>> Total amount of constant memory: 65536 bytes
>> Total amount of shared memory per block: 49152 bytes
>> Total number of registers available per block: 32768
>> Warp size: 32
>> Maximum number of threads per multiprocessor: 1536
>> Maximum number of threads per block: 1024
>> Maximum sizes of each dimension of a block: 1024 x 1024 x 64
>> Maximum sizes of each dimension of a grid: 65535 x 65535 x 65535
>> Maximum memory pitch: 2147483647 bytes
>> Texture alignment: 512 bytes
>> Concurrent copy and kernel execution: Yes with 2 copy
>>engine(s)
>> Run time limit on kernels: No
>> Integrated GPU sharing Host Memory: No
>> Support host page-locked memory mapping: Yes
>> Alignment requirement for Surfaces: Yes
>> Device has ECC support: Enabled
>> Device supports Unified Addressing (UVA): Yes
>> Device PCI Bus ID / PCI location ID: 20 / 0
>> Compute Mode:
>> < Exclusive (only one host thread in one process is able to use
>> ::cudaSetDevice() with this device) >
>>
>> thanks,
>> scott
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
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Received on Tue Sep 02 2014 - 14:30:03 PDT
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