About Greg Ruetsch

Greg Ruetsch is a Senior Applied Engineer at NVIDIA, where he works on CUDA Fortran and performance optimization of HPC codes. He holds a Bachelor’s degree in mechanical and aerospace engineering from Rutgers University and a Ph.D. in applied mathematics from Brown University. Prior to joining NVIDIA he has held research positions at Stanford University’s Center for Turbulence Research and Sun Microsystems Laboratories.

CUDA Pro Tip: How to Call Batched cuBLAS routines from CUDA Fortran

When dealing with small arrays and matrices, one method of exposing parallelism on the GPU is to execute the same cuBLAS call on multiple independent systems simultaneously. While you can do this manually by calling multiple cuBLAS kernels across multiple CUDA streams, batched cuBLAS routines enable such parallelism automatically for certain operations (GEMM, GETRF, GETRI, and TRSM).  In this post I’ll show you how to leverage these batched routines from CUDA Fortran.

The C interface batched cuBLAS functions use an array of pointers as one of their arguments, where each pointer in the array points to an independent matrix. This poses a problem for Fortran, which does not allow arrays of pointers. To accommodate this argument, we can make use of the data types declared in the ISO_C_BINDING module, in particular the c_devptr type.  Let’s illustrate this with a code that calls the batched SGETRF cuBLAS routine.

Writing Interfaces to Batched cuBLAS Routines

At the time of writing this post, the batched cuBLAS routines are not in the CUDA Fortran cublas module, so we first need to define the interface to the cublasSgetrfBatched() call:

  integer(c_int) function &
      cublasSgetrfBatched(h,n,Aarray,lda,ipvt,info,batchSize) &
    use iso_c_binding 
    use cublas 
    type(cublasHandle), value :: h 
    integer(c_int), value :: n 
    type(c_devptr), device :: Aarray(*) 
    integer(c_int), value :: lda
    integer(c_int), device :: ipvt(*) 
    integer(c_int), device :: info(*) 
    integer(c_int), value :: batchSize 
  end function cublasSgetrfBatched
end interface

The arguments of cublasSgetrfBatched() are: Continue reading

Peer-to-Peer Multi-GPU Transpose in CUDA Fortran (Book Excerpt)

CUDA Fortran for Scientists and EngineersThis post is an excerpt from Chapter 4 of the book CUDA Fortran for Scientists and Engineers, by Gregory Ruetsch and Massimiliano Fatica. In this excerpt we extend the matrix transpose example from a previous post to operate on a matrix that is distributed across multiple GPUs. The data layout is shown in Figure 1 for an nx × ny = 1024 × 768 element matrix that is distributed amongst four devices. Each device contains a horizontal slice of the input matrix shown in the figure, as well as a horizontal slice of the output matrix. These input matrix slices of 1024 × 192 elements are divided into four tiles containing 256 × 192 elements each, which are referred to as p2pTile in the code. As the name indicates, the p2pTiles are used for peer-to-peer transfers. After a p2pTile has been transferred to the appropriate device if necessary (tiles on the block diagonal do not need to be transferred as the input and output tiles are on the same device), a CUDA transpose kernel launch transposes the elements within the p2pTile using thread blocks that process smaller tiles of 32 × 32 elements.

Device data layout for peer-to-peer transpose with a nx x ny = 1024 x 768 matrix on four devices. Each device holds a 1024 x 192 horizontal slice of input matrix (as well as a 768 x 256 horizontal slice of the output matrix). Each slice of the input matrix is broken into four tiles of 256 x 192 elements, which are used for  peer-to-peer transfers. The CUDA kernel transposes this tile using 48 thread blocks, each of which processes a 32 x 32 tile.
Device data layout for peer-to-peer transpose with a nx x ny = 1024 x 768 matrix on four devices. Each device holds a 1024 x 192 horizontal slice of input matrix (as well as a 768 x 256 horizontal slice of the output matrix). Each slice of the input matrix is broken into four tiles of 256 x 192 elements, which are used for peer-to-peer transfers. The CUDA kernel transposes this tile using 48 thread blocks, each of which processes a 32 x 32 tile.

The full code is available on the website for the CUDA Fortran for Scientists and Engineers textbook [line numbers below refer to the file CUDAFortranCode/chapter4/P2P/transposeP2P.cuf in the source code archive]. In this post we pull in only the relevant parts for our discussion. Continue reading

Finite Difference Methods in CUDA Fortran, Part 2

In the last CUDA Fortran post we dove in to 3D finite difference computations in CUDA Fortran, demonstrating how to implement the derivative part of the computation. In this post, let’s continue by exploring how we can write efficient kernels for the y and derivatives. As with the previous post, code for the examples in this post is available for download on Github.

Y and Z Derivatives

We can easily modify the derivative code to operate in the other directions. In the derivative each thread block calculates the derivatives in an x, y tile of 64 × sPencils elements. For the derivative we can have a thread block calculate the derivative on a tile of sPencils × 64 elements in x, y, as depicted on the left in the figure below.

Likewise, for the derivative a thread block can calculate the derivative in a x, z tile of sPencils × 64 elements. The kernel below shows the derivative kernel using this approach. Continue reading

Finite Difference Methods in CUDA Fortran, Part 1

In the last CUDA Fortran post we investigated how shared memory can be used to optimize a matrix transpose, achieving roughly an order of magnitude improvement in effective bandwidth by using shared memory to coalesce global memory access. The topic of today’s post is to show how to use shared memory to enhance data reuse in a finite difference code. In addition to shared memory, we will also discuss constant memory, which is a read-only memory that is cached on chip and is optimized for uniform access across threads in a block (or warp).

Problem Statement: 3D Finite Difference

Our example uses a three-dimensional grid of size 643. For simplicity we assume periodic boundary conditions and only consider first-order derivatives, although extending the code to calculate higher-order derivatives with other types of boundary conditions is straightforward.

The finite difference method essentially uses a weighted summation of function values at neighboring points to approximate the derivative at a particular point. For a (2N+1)-point stencil with uniform spacing ∆x in the x-direction, the following equation gives a central finite difference scheme for the derivative in x. Equations for the other directions are similar. 

Continue reading

An Efficient Matrix Transpose in CUDA Fortran

My last CUDA Fortran post covered the mechanics of using shared memory, including static and dynamic allocation. In this post I will show some of the performance gains achievable using shared memory. Specifically, I will optimize a matrix transpose to show how to use shared memory to reorder strided global memory accesses into coalesced accesses.

Matrix Transpose

The code we wish to optimize is a transpose of a matrix of single precision values that operates out-of-place, i.e. the input and output are separate arrays in memory. For simplicity of presentation, we’ll consider only square matrices whose dimensions are integral multiples of 32 on a side. The entire code is available on Github. It consists several kernels as well as host code to perform typical tasks such as allocation and data transfers between host and device, launches and timings of several kernels as well as validation of their results, and deallocation of host and device memory. In this post I’ll only include the kernel code; you can view the rest or try it out on Github.

In addition to performing several different matrix transposes, we run simple matrix copy kernels because copy performance indicates the performance that we would like the matrix transpose to achieve. For both matrix copy and transpose, the relevant performance metric is effective bandwidth, calculated in GB/s by dividing twice the size in GB of the matrix (once for loading the matrix and once for storing) by time in seconds of execution. Continue reading

Using Shared Memory in CUDA Fortran

In the previous post, I looked at how global memory accesses by a group of threads can be coalesced into a single transaction, and how alignment and stride affect coalescing for various generations of CUDA hardware. For recent versions of CUDA hardware, misaligned data accesses are not a big issue. However, striding through global memory is problematic regardless of the generation of the CUDA hardware, and would seem to be unavoidable in many cases, such as when accessing elements in a multidimensional array along the second and higher dimensions. However, it is possible to coalesce memory access in such cases if we use shared memory. Before I show you how to avoid striding through global memory in the next post, first I need to describe shared memory in some detail.

Shared Memory

Because it is on-chip, shared memory is much faster than local and global memory. In fact, shared memory latency is roughly 100x lower than uncached global memory latency (provided that there are no bank conflicts between the threads, which we will examine later in this post). Shared memory is allocated per thread block, so all threads in the block have access to the same shared memory. Threads can access data in shared memory loaded from global memory by other threads within the same thread block. This capability (combined with thread synchronization) has a number of uses, such as user-managed data caches, high-performance cooperative parallel algorithms (such as parallel reductions), and to facilitate global memory coalescing in cases where it would otherwise not be possible.

Thread Synchronization

When sharing data between threads, we need to be careful to avoid race conditions, because while threads in a block run logically in parallel, not all threads can execute physically at the same time. Let’s say that two threads A and B each load a data element from global memory and store it to shared memory. Then, thread A wants to read B’s element from shared memory, and vice versa. Let’s assume that A and B are threads in two different warps. If B has not finished writing its element before A tries to read it, we have a race condition, which can lead to undefined behavior and incorrect results. Continue reading

How to Access Global Memory Efficiently in CUDA Fortran Kernels

In the previous two posts we looked at how to move data efficiently between the host and device.  In this sixth post of our CUDA Fortran series we discuss how to efficiently access device memory, in particular global memory, from within kernels.

There are several kinds of memory on a CUDA device, each with different scope, lifetime, and caching behavior. So far in this series we have used global memory, which resides in device DRAM, for transfers between the host and device as well as for the data input to and output from kernels. The name global here refers to scope, as it can be accessed and modified from both the host and the device. Global memory is declared in host code via the device variable attribute and can persist for the lifetime of the application. Depending on the compute capability of the device, global memory may or may not be cached on the chip.

Before we go into how global memory is accessed, we need to refine our understanding of the CUDA execution model. We have discussed how threads are grouped into thread blocks, which are assigned to multiprocessors on the device. During execution there is a finer grouping of threads into groups of threads called warps. Multiprocessors on the GPU execute instructions for each warp in SIMD (Single Instruction Multiple Data) fashion. The warp size (effectively the SIMD width) of all current CUDA-capable GPUs is 32 threads.

Global Memory Coalescing

Grouping of threads into warps is not only relevant to computation, but also to global memory accesses. The device coalesces global memory loads and stores issued by threads of a warp into as few transactions as possible in order to minimize DRAM bandwidth (on older hardware of compute capability less than 2.0, transactions are coalesced within half warps of 16 threads rather than whole warps). To elucidate the conditions under which coalescing occurs across CUDA device architectures we run some simple experiments on three Tesla cards: a Tesla C870 (compute capability 1.0), a Tesla C1060 (compute capability 1.3), and a Tesla C2050 (compute capability 2.0). Continue reading

How to Overlap Data Transfers in CUDA Fortran

In my last CUDA Fortran post I discussed how to transfer data efficiently between the host and device.  In this post, I discuss how to overlap data transfers with computation on the host, computation on the device, and in some cases other data transfers between the host and device. Achieving overlap between data transfers and other operations requires the use of CUDA streams, so first let’s learn about streams.

CUDA Streams

A stream in CUDA is a sequence of operations that execute on the device in the order in which they are issued by the host code. While operations within a stream are guaranteed to execute in the prescribed order, operations in different streams can be interleaved and, when possible, they can even run concurrently.

The default stream

All device operations (kernels and data transfers) in CUDA run in a stream. When no stream is specified, the default stream (also called the “null stream”) is used. The default stream is different from other streams because it is a synchronizing stream with respect to operations on the device: no operation in the default stream will begin until all previously issued operations in any stream on the device have completed, and an operation in the default stream must complete before any other operation (in any stream on the device) will begin.

Let’s look at some simple code examples that use the default stream, and discuss how operations progress from the perspective of the host as well as the device.

a_d = a
call increment<<<1,N>>>(a_d)
a = a_d

In the code above, from the perspective of the device, all three operations are issued to the same (default) stream and will execute in the order that they were issued. Continue reading

How to Optimize Data Transfers in CUDA Fortran

In the previous three posts of this CUDA Fortran series we laid the groundwork for the major thrust of the series: how to optimize CUDA Fortran code. In this and the following post we begin our discussion of code optimization with how to efficiently transfer data between the host and device. The peak bandwidth between the device memory and the GPU is much higher (144 GB/s on the NVIDIA Tesla C2050, for example) than the peak bandwidth between host memory and device memory (8 GB/s on the PCIe x16 Gen2). This disparity means that your implementation of data transfers between the host and GPU devices can make or break your overall application performance. Let’s start with a few general guidelines for host-device data transfers.

  • Minimize the amount of data transferred between host and device when possible, even if that means running kernels on the GPU that get little or no speed-up compared to running them on the host CPU.
  • Higher bandwidth is possible between the host and the device when using page-locked (or “pinned”) memory.
  • Batching many small transfers into one larger transfer performs much better because it eliminates most of the per-transfer overhead.
  • Data transfers between the host and device can sometimes be overlapped with kernel execution and other data transfers.

We investigate the first three guidelines above in this post, and we dedicate the next post to overlapping data transfers. First I want to talk about how to measure time spent in data transfers without modifying the source code. Continue reading

How to Query Device Properties and Handle Errors in CUDA Fortran

In this third post of the CUDA Fortran series we discuss various characteristics of the wide range of CUDA-capable GPUs, how to query device properties from within a CUDA Fortran program, and how to handle errors.

Querying Device Properties

In our last post, about performance metrics, we discussed how to compute the theoretical peak bandwidth of a GPU. This calculation used the GPU’s memory clock rate and bus interface width, which we obtained from product literature. The following CUDA Fortran code demonstrates a more general approach, calculating the theoretical peak bandwidth by querying the attached device (or devices) for the needed information.

program peakBandwidth
  use cudafor
  implicit none

  integer :: i, istat, nDevices
  type (cudaDeviceProp) :: prop

  istat = cudaGetDeviceCount(nDevices)
  do i = 0, nDevices-1
     istat = cudaGetDeviceProperties(prop, i)
     write(*,"(' Device Number: ',i0)") i
     write(*,"('   Device name: ',a)") trim(prop%name)
     write(*,"('   Memory Clock Rate (KHz): ', i0)") &
     write(*,"('   Memory Bus Width (bits): ', i0)") &
     write(*,"('   Peak Memory Bandwidth (GB/s): ', f6.2)") &
end program peakBandwidth

Continue reading