Re: [AMBER] Error: invalid configuration argument launching kernel kPMEFillChargeGridBuffer

From: Scott Le Grand <varelse2005.gmail.com>
Date: Tue, 14 Oct 2014 09:11:37 -0700

Cool, the problem was MPI-independent and we're going to add a large system
test so it never happens again (works just fine on Kepler and Maxwell
though).

Scott

On Tue, Oct 14, 2014 at 7:03 AM, Pablo Ródenas <pablo.rodenas.bsc.es> wrote:

> Hi Scott,
>
> the execution of pmemd.cuda finished apparently well.
> I just re-compiled the CUDA MPI version and it is running also well by
> the moment.
>
> Anyway, I will be waiting for your official results.
>
> Best regards,
> Pablo.
>
>
> El 14/10/14 a las #4, Scott Le Grand escribió:
> > Yes. I'm going to check it in next week.
> > On Oct 14, 2014 12:44 AM, "Pablo Ródenas" <pablo.rodenas.bsc.es> wrote:
> >
> >> Hi Scott,
> >>
> >> the execution is still running (it is a big input), but the process
> >> seems to be working as expected.
> >> Will be this change suitable for pmemd.cuda.MPI too?
> >>
> >> Cheers,
> >> Pablo.
> >>
> >>
> >> El 13/10/14 a las #4, Pablo Ródenas escribió:
> >>> Dear Scott,
> >>>
> >>> The execution of the last week finished successfully.
> >>>
> >>> I just recompile Amber with your files and the execution is running.
> >>> Let's see how it is going on.
> >>>
> >>> Best regards,
> >>> Pablo.
> >>>
> >>>
> >>>
> >>> El 10/10/14 a las #4, Scott Le Grand escribió:
> >>>> Sent you patch code off list to test out. If this works, I'll check
> it
> >>>> into the tree...
> >>>>
> >>>> Very minor changes...
> >>>>
> >>>>
> >>>> On Thu, Oct 9, 2014 at 11:36 PM, Pablo Ródenas <pablo.rodenas.bsc.es>
> >> wrote:
> >>>>> Good morning Scott,
> >>>>>
> >>>>> after modifying the code with your suggestions I get the following
> >> results:
> >>>>> with 255:
> >>>>> Error: unspecified launch failure launching kernel kClearForces
> >>>>> cudaFree GpuBuffer::Deallocate failed unspecified launch failure
> >>>>>
> >>>>> with 256:
> >>>>> seems to be working.
> >>>>>
> >>>>> I will tell you how the executions ends.
> >>>>>
> >>>>> Thanks,
> >>>>> Pablo.
> >>>>>
> >>>>>
> >>>>> El 09/10/14 a las #4, Scott Le Grand escribió:
> >>>>>> You missed this part:
> >>>>>>
> >>>>>> unsigned int blocks = (gpu->sim.nfft1 * gpu->sim.nfft2 *
> >> gpu->sim.nfft3 +
> >>>>>> 255) >> 8;
> >>>>>>
> >>>>>>
> >>>>>>
> >>>>>> On Thu, Oct 9, 2014 at 8:54 AM, Pablo Ródenas <pablo.rodenas.bsc.es
> >
> >>>>> wrote:
> >>>>>>> Dear Scott,
> >>>>>>>
> >>>>>>> I tried with both changes:
> >>>>>>> kPMEReduceChargeGridBuffer_kernel<<<blocks, 255>>>();
> >>>>>>> and
> >>>>>>> kPMEReduceChargeGridBuffer_kernel<<<blocks, 256>>>();
> >>>>>>>
> >>>>>>> and the error arises again:
> >>>>>>> BLOCKS: 66150
> >>>>>>> NFFT: 360 196 120
> >>>>>>> Error: invalid configuration argument launching kernel
> >>>>>>> kPMEReduceChargeGridBuffer
> >>>>>>>
> >>>>>>> Is it there where I have to try with the values 255 and 256 for
> >>>>>>> ReduceChargeGridBuffer?
> >>>>>>>
> >>>>>>> Thanks,
> >>>>>>> Pablo.
> >>>>>>>
> >>>>>>> El 09/10/14 a las #4, Pablo Ródenas escribió:
> >>>>>>>> Hi Scott,
> >>>>>>>>
> >>>>>>>> the nfft values are respectively the followings:
> >>>>>>>> 360 196 120
> >>>>>>>>
> >>>>>>>> I just undo all my changes in ReduceChargeGridBuffer and I will
> try
> >>>>> with:
> >>>>>>>> kPMEReduceChargeGridBuffer_kernel<<<blocks, 255>>>();
> >>>>>>>> or
> >>>>>>>> kPMEReduceChargeGridBuffer_kernel<<<blocks, 256>>>();
> >>>>>>>>
> >>>>>>>> I will let you know any advance.
> >>>>>>>>
> >>>>>>>> Thank you very much.
> >>>>>>>>
> >>>>>>>> Best regards,
> >>>>>>>> Pablo.
> >>>>>>>>
> >>>>>>>>
> >>>>>>>> El 09/10/14 a las #4, Scott Le Grand escribió:
> >>>>>>>>> Also try 255 and 256 for ReduceChargeGridBuffer...
> >>>>>>>>>
> >>>>>>>>>
> >>>>>>>>> On Thu, Oct 9, 2014 at 8:23 AM, Scott Le Grand <
> >> varelse2005.gmail.com
> >>>>>>>>> wrote:
> >>>>>>>>>
> >>>>>>>>>> What is nfft1, nfft2, and nfft3 for this system?
> >>>>>>>>>>
> >>>>>>>>>> On Thu, Oct 9, 2014 at 8:20 AM, Pablo Ródenas <
> >> pablo.rodenas.bsc.es>
> >>>>>>>>>> wrote:
> >>>>>>>>>>
> >>>>>>>>>>> Dear Scott,
> >>>>>>>>>>>
> >>>>>>>>>>> you are right, this is a messy change.
> >>>>>>>>>>> We only saw clear to change from 65536 to 65535.
> >>>>>>>>>>> But after this change on the kPMEFillChargeGridBuffer function,
> >> we
> >>>>> got
> >>>>>>>>>>> the error on the kPMEReduceChargeGridBuffer one. We saw that
> the
> >>>>> value
> >>>>>>>>>>> of block variable on the kPMEReduceChargeGridBuffer function is
> >>>>> 66150,
> >>>>>>>>>>> greater than the one of our card, so we try to solve it with a
> >> quick
> >>>>>>>>>>> change in order to adapt it to our card maximum values. Please,
> >>>>> could
> >>>>>>>>>>> you try to fix this function too?
> >>>>>>>>>>>
> >>>>>>>>>>> FYI, the maximum values of our card are:
> >>>>>>>>>>> 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
> >>>>>>>>>>> Thank you very much for your answers!
> >>>>>>>>>>>
> >>>>>>>>>>> Best regards,
> >>>>>>>>>>> Pablo.
> >>>>>>>>>>>
> >>>>>>>>>>>
> >>>>>>>>>>> El 09/10/14 a las #4, Scott Le Grand escribió:
> >>>>>>>>>>>> Also do *not* *mess* *with* LOADSIZE. You will wake the
> >> CUDAThuhlu
> >>>>>>> with
> >>>>>>>>>>>> such actions and no one wants that...
> >>>>>>>>>>>>
> >>>>>>>>>>>> The only change you should make here is changing 65536 to
> 65535.
> >>>>>>>>>>>>
> >>>>>>>>>>>> That said, thanks for hitting this corner case! Fix
> shortly...
> >>>>>>>>>>>>
> >>>>>>>>>>>> On Thu, Oct 9, 2014 at 8:06 AM, Scott Le Grand <
> >>>>>>> varelse2005.gmail.com>
> >>>>>>>>>>>> wrote:
> >>>>>>>>>>>>
> >>>>>>>>>>>>> Looking closer at this thread, could you try using 65,535
> >> instead
> >>>>> of
> >>>>>>>>>>>>> 65,536?
> >>>>>>>>>>>>>
> >>>>>>>>>>>>> http://en.wikipedia.org/wiki/CUDA, specifically maximum x
> >>>>> dimension
> >>>>>>>>>>> on SM
> >>>>>>>>>>>>> 2.0 GPUs is 65,535...
> >>>>>>>>>>>>>
> >>>>>>>>>>>>> Missed it by one... Works fine on any Kepler or better class
> >> GPU
> >>>>>>>>>>> because
> >>>>>>>>>>>>> this limit was raised to 2^31 - 1
> >>>>>>>>>>>>>
> >>>>>>>>>>>>> Ironically, y and z are still limited to 65,535. I'll check
> >> in a
> >>>>>>> fix
> >>>>>>>>>>>>> shortly...
> >>>>>>>>>>>>>
> >>>>>>>>>>>>>
> >>>>>>>>>>>>>
> >>>>>>>>>>>>> On Thu, Oct 9, 2014 at 7:58 AM, Scott Le Grand <
> >>>>>>> varelse2005.gmail.com>
> >>>>>>>>>>>>> wrote:
> >>>>>>>>>>>>>
> >>>>>>>>>>>>>> Broken.
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>> Do not use this.
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>> The threadblocks *have* to be 64 for this to work (4 x 4 x 4
> >>>>>>>>>>>>>> interpolation)...
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>> On Thu, Oct 9, 2014 at 7:22 AM, Pablo Ródenas <
> >>>>>>> pablo.rodenas.bsc.es>
> >>>>>>>>>>>>>> wrote:
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> Dear Jason and everybody,
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> finally I found that this Amber bug comes from the file
> >>>>>>>>>>>>>>> $AMBERHOME/src/pmemd/src/cuda/kPMEInterpolation.cu.
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> There is the following hardcoded value (instead of getting
> >> it by
> >>>>>>>>>>> asking
> >>>>>>>>>>>>>>> to the card) in the function kPMEFillChargeGridBuffer
> which I
> >>>>>>>>>>> replaced
> >>>>>>>>>>>>>>> by the settings of my card (Tesla M2090):
> >>>>>>>>>>>>>>> + (line ~400)
> >>>>>>>>>>>>>>> int lblocks =
> >>>>> min(blocks,
> >>>>>>>>>>> 65535);
> >>>>>>>>>>>>>>> kPMEFillChargeGridBuffer_kernel<<<lblocks,
> >>>>>>> 64>>>(offset);
> >>>>>>>>>>>>>>> LAUNCHERROR("kPMEFillChargeGridBuffer");
> >>>>>>>>>>>>>>> offset +=
> >> 65535;
> >>>>>>>>>>>>>>> blocks -=
> >> 65535;
> >>>>>>>>>>>>>>> -
> >>>>>>>>>>>>>>> int lblocks =
> >>>>> min(blocks,
> >>>>>>>>>>> 65536);
> >>>>>>>>>>>>>>> kPMEFillChargeGridBuffer_kernel<<<lblocks,
> >>>>>>> 64>>>(offset);
> >>>>>>>>>>>>>>> LAUNCHERROR("kPMEFillChargeGridBuffer");
> >>>>>>>>>>>>>>> offset +=
> >> 65536;
> >>>>>>>>>>>>>>> blocks -=
> >> 65536;
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> After this change, Amber continues its execution until the
> >> next
> >>>>>>>>>>> error:
> >>>>>>>>>>>>>>> kPMEReduceChargeGridBuffer. I have also solved this error
> by
> >>>>>>>>>>> modifying
> >>>>>>>>>>>>>>> the function kPMEReduceChargeGridBuffer and its cuda kernel
> >>>>>>> function
> >>>>>>>>>>>>>>> kPMEReduceChargeGridBuffer_kernel. So my changes are:
> >>>>>>>>>>>>>>> + (line ~166)
> >>>>>>>>>>>>>>> kPMEReduceChargeGridBuffer_kernel(int offset)
> >>>>>>>>>>>>>>> {
> >>>>>>>>>>>>>>> unsigned int pos =
> >>>>> blockIdx.x *
> >>>>>>>>>>>>>>> blockDim.x + threadIdx.x + offset * blockDim.x;
> >>>>>>>>>>>>>>> -
> >>>>>>>>>>>>>>> kPMEReduceChargeGridBuffer_kernel()
> >>>>>>>>>>>>>>> {
> >>>>>>>>>>>>>>> unsigned int pos =
> >>>>> blockIdx.x *
> >>>>>>>>>>>>>>> blockDim.x + threadIdx.x;
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> and
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> + (line ~209)
> >>>>>>>>>>>>>>> long long blocks = (gpu->sim.nfft1 *
> >> gpu->sim.nfft2 *
> >>>>>>>>>>> gpu->sim.nfft3
> >>>>>>>>>>>>>>> + 127) >> 7;
> >>>>>>>>>>>>>>> int offset = 0;
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> while (blocks > 0)
> >>>>>>>>>>>>>>> {
> >>>>>>>>>>>>>>> long long lblocks
> >> =
> >>>>>>> min(blocks,
> >>>>>>>>>>>>>>> 65535ll);
> >>>>>>>>>>>>>>>
> kPMEReduceChargeGridBuffer_kernel<<<lblocks,
> >>>>>>>>>>> 128>>>(offset);
> >>>>>>>>>>>>>>> LAUNCHERROR("kPMEReduceChargeGridBuffer");
> >>>>>>>>>>>>>>> offset +=
> >> 65535;
> >>>>>>>>>>>>>>> blocks -=
> >> 65535;
> >>>>>>>>>>>>>>> }
> >>>>>>>>>>>>>>> -
> >>>>>>>>>>>>>>> unsigned int blocks = (gpu->sim.nfft1 *
> >> gpu->sim.nfft2 *
> >>>>>>>>>>>>>>> gpu->sim.nfft3 + 127) >> 7;
> >>>>>>>>>>>>>>> kPMEReduceChargeGridBuffer_kernel<<<blocks,
> >> 128>>>();
> >>>>>>>>>>>>>>> LAUNCHERROR("kPMEReduceChargeGridBuffer");
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> Now it seems to work and I got 0 errors in the amber cuda
> >> tests.
> >>>>>>> But
> >>>>>>>>>>> I
> >>>>>>>>>>>>>>> cannot ensure that this code will produce the right values
> >> for
> >>>>> our
> >>>>>>>>>>>>>>> calculates, the execution is simply working.
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> Please, can you check your pmemd.cuda code in order to get
> it
> >>>>>>> working
> >>>>>>>>>>>>>>> for cards with lower grid and block size? Then we will be
> >> very
> >>>>>>> glad
> >>>>>>>>>>> if
> >>>>>>>>>>>>>>> you make a new update with a tested patch solving these
> >> issues.
> >>>>>>>>>>>>>>> Thank you for your attention.
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> Best regards,
> >>>>>>>>>>>>>>> Pablo.
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> El 04/09/14 a las #4, Jason Swails escribió:
> >>>>>>>>>>>>>>>> On Thu, Sep 4, 2014 at 2:17 AM, Pablo Ródenas <
> >>>>>>> pablo.rodenas.bsc.es
> >>>>>>>>>>>>>>> wrote:
> >>>>>>>>>>>>>>>>> Good morning,
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>> could you reproduce the problem with the files provided?
> >>>>>>>>>>>>>>>>> ​
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>> O
> >>>>>>>>>>>>>>>> ​n my computer (GTX 680, 2 GB of memory), I get a memory
> >>>>>>> allocation
> >>>>>>>>>>>>>>> error
> >>>>>>>>>>>>>>>> because 2 GB is not enough for your system (ca. 700K+
> >> atoms).
> >>>>>>> When
> >>>>>>>>>>> I
> >>>>>>>>>>>>>>> move
> >>>>>>>>>>>>>>>> to a K20c (4 GB of memory), it runs fine for over 10
> minutes
> >>>>>>> (after
> >>>>>>>>>>>>>>> which I
> >>>>>>>>>>>>>>>> killed it because your input files would have run for 10
> >> hours
> >>>>> on
> >>>>>>>>>>> the
> >>>>>>>>>>>>>>>> K20c). That machine has the nVidia toolkit version 5.0
> and
> >> the
> >>>>>>>>>>> 331.38
> >>>>>>>>>>>>>>>> drivers on it.
> >>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>> I'm not sure why you're having problems... Have you tried
> >>>>>>> running
> >>>>>>>>>>> the
> >>>>>>>>>>>>>>> GPU
> >>>>>>>>>>>>>>>> validation suite? I know Ross Walker posted a link to it
> >> on a
> >>>>>>>>>>> previous
> >>>>>>>>>>>>>>>> post, but I can't seem to locate it right now...
> >>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>> HTH,
> >>>>>>>>>>>>>>>> Jason
> >>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> --
> >>>>>>>>>>>>>>> Pablo Ródenas Barquero (pablo.rodenas.bsc.es)
> >>>>>>>>>>>>>>> BSC - Centro Nacional de Supercomputación
> >>>>>>>>>>>>>>> C/ Jordi Girona, 31 WWW: http://www.bsc.es
> >>>>>>>>>>>>>>> 08034 Barcelona, Spain Tel: +34-93-405 42 29
> >>>>>>>>>>>>>>> e-mail: support.bsc.es Fax: +34-93-413 77 21
> >>>>>>>>>>>>>>> -----------------------------------------------
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> >>>>>>>>>>>>>>> C/ Baldiri Reixac, 4 WWW: http://www.cnag.cat
> >>>>>>>>>>>>>>> 08028 Barcelona, Spain Tel: +34-93-403 37 54
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> >>>>>>>>>>>>>>>
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> >>>>>>>>>>>>>>> from disclosure under applicable law. If you are not the
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> >>>>>>>>>>> BSC - Centro Nacional de Supercomputación
> >>>>>>>>>>> C/ Jordi Girona, 31 WWW: http://www.bsc.es
> >>>>>>>>>>> 08034 Barcelona, Spain Tel: +34-93-405 42 29
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> >>>>>>>>>>> -----------------------------------------------
> >>>>>>>>>>> CNAG - Centre Nacional Anàlisi Genòmica
> >>>>>>>>>>> C/ Baldiri Reixac, 4 WWW: http://www.cnag.cat
> >>>>>>>>>>> 08028 Barcelona, Spain Tel: +34-93-403 37 54
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> >>>>>>> BSC - Centro Nacional de Supercomputación
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> >>>>>>> 08034 Barcelona, Spain Tel: +34-93-405 42 29
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> >>>>>>> 08028 Barcelona, Spain Tel: +34-93-403 37 54
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> >>>>> --
> >>>>> Pablo Ródenas Barquero (pablo.rodenas.bsc.es)
> >>>>> BSC - Centro Nacional de Supercomputación
> >>>>> C/ Jordi Girona, 31 WWW: http://www.bsc.es
> >>>>> 08034 Barcelona, Spain Tel: +34-93-405 42 29
> >>>>> e-mail: support.bsc.es Fax: +34-93-413 77 21
> >>>>> -----------------------------------------------
> >>>>> CNAG - Centre Nacional Anàlisi Genòmica
> >>>>> C/ Baldiri Reixac, 4 WWW: http://www.cnag.cat
> >>>>> 08028 Barcelona, Spain Tel: +34-93-403 37 54
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> >> --
> >> Pablo Ródenas Barquero (pablo.rodenas.bsc.es)
> >> BSC - Centro Nacional de Supercomputación
> >> C/ Jordi Girona, 31 WWW: http://www.bsc.es
> >> 08034 Barcelona, Spain Tel: +34-93-405 42 29
> >> e-mail: support.bsc.es Fax: +34-93-413 77 21
> >> -----------------------------------------------
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> >> C/ Baldiri Reixac, 4 WWW: http://www.cnag.cat
> >> 08028 Barcelona, Spain Tel: +34-93-403 37 54
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> --
> Pablo Ródenas Barquero (pablo.rodenas.bsc.es)
> BSC - Centro Nacional de Supercomputación
> C/ Jordi Girona, 31 WWW: http://www.bsc.es
> 08034 Barcelona, Spain Tel: +34-93-405 42 29
> e-mail: support.bsc.es Fax: +34-93-413 77 21
> -----------------------------------------------
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> 08028 Barcelona, Spain Tel: +34-93-403 37 54
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Received on Tue Oct 14 2014 - 09:30:03 PDT
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