From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Thu Nov 10 2016 - 16:20:31 CST
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.
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.
> 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?
>> 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
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