Send me the input files?
On Aug 7, 2013 10:14 AM, "Kyle Sutherland-Cash" <khs26.cam.ac.uk> wrote:
> Hello,
>
> I had an issue that has been mentioned before at:
> http://archive.ambermd.org/201307/0514.html
>
> This occurs when running a minimisation for an 80,000 atom system with cut
> offs over a certain size (10.0 and 11.0 work fine, but 12.0 and larger do
> not). The error is reported as GpuBuffer::Download failed unspecified
> launch error (i.e. probably a CUDA segfault).
>
> I ran pmemd.cuda through cuda-memcheck and it highlighted calls to
> kNLBuildNeighborListOrthogonal16_kernel. All of the errors were of the
> following form:
>
> ========= Invalid __global__ write of size 4
> ========= at 0x00000e38 in
> kNLBuildNeighborListOrthogonal16_kernel(void)
> ========= by thread (527,0,0) in block (0,0,0)
> ========= Address 0x70eaede3c is out of bounds
>
> The threads in question were threads (512-527,0,0) in block (0,0,0) and
> (192-207,0,0) in block (7,0,0). I tried looking at kBNL.h, but I don't
> really know CUDA well enough to work out where the indexing might have gone
> awry.
>
> If it helps, I can upload input files as well.
>
> The code was built yesterday with all the available bugfixes using CUDA
> 5.5, ifort and the Intel MKL.
>
> Thanks,
>
> Kyle
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Received on Wed Aug 07 2013 - 10:30:04 PDT
