Re: NAMD2.12b1 and CUDA

From: Jeff Comer (jeffcomer_at_gmail.com)
Date: Thu Nov 10 2016 - 17:23:04 CST

Thanks!

On Thursday, November 10, 2016, Jim Phillips <jim_at_ks.uiuc.edu> wrote:

> Hi Jeff,
>
> You can recompile NAMD with 3.0, but nothing earlier. That the Linux
> binaries are compiled for only 3.5 was an oversight as the Windows and Mac
> binaries do support 3.0. I've added this to CVS so a nightly build binary
> will be available tomorrow that should work on your GTX 770.
>
> FYI, you get a more informative error message for pre-3.0 GPUs.
>
> Thanks for bringing this up.
>
> Jim
>
>
> On Thu, 10 Nov 2016, Giacomo Fiorin wrote:
>
> Hi Jeff, the error message seems quite clear. The new .arch file for
>> x86_64 only includes flags for CUDA capability 3.5 and later, you can
>> definitely recompile NAMD with 3.0 or earlier.
>>
>> I tested this with two 680s on one node, and it's pretty awesome to be
>> able
>> to use both GPUs and all CPU cores as well with good scaling.
>>
>> Thank Antti-Pekka Hynninen at ORNL for the great work.
>>
>> Giacomo
>>
>> On Thu, Nov 10, 2016 at 10:09 AM, Jeff Comer <jeffcomer_at_gmail.com> wrote:
>>
>> NAMD2.12b1 runs on my GeForce GTX 960 GPUs but not on my GeForce GTX
>>> 770 GPUs. I tried adding "useCuda2 no" and "usePmeCuda no", but I
>>> continue to get this error:
>>>
>>> Charm++ fatal error:
>>> FATAL ERROR: CUDA error Error executing CUDA kernel
>>> read_CUDA_ARCH_kernel in file src/DeviceCUDAkernel.cu
>>> Error string: invalid device function
>>> Possible cause: Device compute capability is less than the compute
>>> capability the code was compiled for.
>>> on Pe 4 (conejo device 0)
>>>
>>> Is there a solution to this?
>>>
>>> Thanks,
>>> Jeff
>>>
>>>
>>> –––––––––––––––––––––––––––––––––––———————
>>> Jeffrey Comer, PhD
>>> Assistant Professor
>>> Institute of Computational Comparative Medicine
>>> Nanotechnology Innovation Center of Kansas State
>>> Kansas State University
>>> Office: P-213 Mosier Hall
>>> Phone: 785-532-6311
>>> Website: http://jeffcomer.us
>>>
>>>
>>>
>>
>> --
>> Giacomo Fiorin
>> Associate Professor of Research
>> Institute for Computational Molecular Science (ICMS)
>> College of Science and Technology, Temple University
>> 1925 North 12th Street (035-07), Room 704D
>> Philadelphia, PA 19122-1801
>> Phone: +1-215-204-4213
>>
>> Scholar: http://goo.gl/Q3TBQU
>> Personal: http://giacomofiorin.github.io/
>> Lab page: https://icms.cst.temple.edu/members.html
>>
>> *"As computer programmers we have a responsibility to make sure that we
>> run
>> the computers instead of the computers running us."* - Steve Oualline
>>
>

-- 
–––––––––––––––––––––––––––––––––––———————
Jeffrey Comer, PhD
Assistant Professor
Institute of Computational Comparative Medicine
Nanotechnology Innovation Center of Kansas State
Kansas State University
Office: P-213 Mosier Hall
Phone: 785-532-6311
Website: http://jeffcomer.us

This archive was generated by hypermail 2.1.6 : Tue Dec 27 2016 - 23:22:35 CST