QUDA is a library for performing calculations in lattice QCD on graphics processing units (GPUs), leveraging NVIDIA's CUDA platform. The current release includes optimized Dirac operators and solvers for the following fermion actions:
- Clover-improved Wilson
- Twisted mass (including non-degenerate pairs)
- Twisted mass with a clover term
- Staggered fermions
- Improved staggered (asqtad or HISQ)
- Domain wall (4-d or 5-d preconditioned)
- Mobius fermion
Implementations of CG, multi-shift CG, BiCGStab, BiCGStab(l), and DD-preconditioned GCR are provided, including robust mixed-precision variants supporting combinations of double, single, and half (16-bit "block floating point") precision. The library also includes auxilliary routines necessary for Hybrid Monte Carlo, such as HISQ link fattening, force terms and clover- field construction. Use of many GPUs in parallel is supported throughout, with communication handled by QMP or MPI. Support for eigen-vector deflation solvers is also included (https://github.com/lattice/quda/wiki/Deflated-Solvers).
We note that while this release of QUDA includes an initial implementation of adaptive multigrid, this is considered experimental and is undergoing continued evolution and improvement. We highly recommend that those users interested in using adaptive multigrid use the present multigrid development branch "feature/multigrid". More details can be found at https://github.com/lattice/quda/wiki/Multigrid-Solver.
The library has been tested under Linux (CentOS 6 and Ubuntu 16.04) using releases 7.5, 8.0 and 9.0, 9.1 and 9.2 of the CUDA toolkit. CUDA 7.0 is not supported, though they may continue to work fine. Eariler versions of the CUDA toolkit will not work. QUDA has been tested in conjuction with both x86-64 and IBM POWER8/POWER9 CPUs. The library also works on 64-bit Intel-based Macs.
See also Known Issues below.
For a list of supported devices, see
Before building the library, you should determine the "compute
capability" of your card, either from NVIDIA's documentation or by
running the deviceQuery example in the CUDA SDK, and pass the
appropriate value to the
QUDA_GPU_ARCH variable in cmake.
QUDA 0.9.0, supports devices of compute capability 2.0 or greater. See also "Known Issues" below.
The recommended method for compiling QUDA is to use cmake, and build QUDA in a separate directory from the source directory. For instructions on how to build QUDA using cmake see this page https://github.com/lattice/quda/wiki/Building-QUDA-with-cmake. Note that this requires cmake version 3.1 or later. You can obtain cmake from https://cmake.org/download/. On Linux the binary tar.gz archives unpack into a cmake directory and usually run fine from that directory.
The basic steps for building cmake are:
- Create a build dir, outside of the quda source directory.
- In your build-dir run
- It is recommended to set options by calling
ccmakein your build dir. Alternatively you can use the
-DVARIABLE=valuesyntax in the previous step.
- run 'make -j ' to build with N parallel jobs.
- Now is a good time to get a coffee.
You are most likely to want to specify the GPU architecture of the machine you are building for. Either configure QUDA_GPU_ARCH in step 3 or specify e.g. -DQUDA_GPU_ARCH=sm_60 for a Pascal GPU in step 2.
QUDA supports using multiple GPUs through MPI and QMP.
To enable multi-GPU support either set
QUDA_QMP to ON when configuring QUDA through cmake.
Note that in any case cmake will automatically try to detect your MPI installation. If you need to specify a particular MPI please set
MPI_CXX_COMPILER in cmake.
See also https://cmake.org/cmake/help/v3.9/module/FindMPI.html for more help.
For QMP please set
QUDA_QMP_HOME to the installation directory of QMP.
For more details see https://github.com/lattice/quda/wiki/Multi-GPU-Support
The eigen-vector solvers (eigCG and incremental eigCG) by default will
use Eigen, however, QUDA can be configured to use MAGMA if available
(see https://github.com/lattice/quda/wiki/Deflated-Solvers for more
details). MAGMA is available from
http://icl.cs.utk.edu/magma/index.html. MAGMA is enabled using the
Version 0.9.x of QUDA includes interface for the external (P)ARPACK
library for eigenvector computing. (P)ARPACK is available, e.g., from
https://github.com/opencollab/arpack-ng. (P)ARPACK is enabled using
QUDA_ARPACK=ON. Note that with a multi-gpu option, the
build system will automatically use PARPACK library.
By default only the QDP and MILC interfaces are enabled. For
interfacing support with QDPJIT, BQCD or CPS; this should be enabled at
by setting the corresponding
QUDA_INTERFACE_<application> variable e.g.,
To keep compilation time to a minimum it is recommended to only enable
those interfaces that are used by a given application.
Throughout the library, auto-tuning is used to select optimal launch
parameters for most performance-critical kernels. This tuning process
takes some time and will generally slow things down the first time a
given kernel is called during a run. To avoid this one-time overhead in
subsequent runs (using the same action, solver, lattice volume, etc.),
the optimal parameters are cached to disk. For this to work, the
QUDA_RESOURCE_PATH environment variable must be set, pointing to a
writable directory. Note that since the tuned parameters are hardware-
specific, this "resource directory" should not be shared between jobs
running on different systems (e.g., two clusters with different GPUs
installed). Attempting to use parameters tuned for one card on a
different card may lead to unexpected errors.
This autotuning information can also be used to build up a first-order
kernel profile: since the autotuner measures how long a kernel takes
to run, if we simply keep track of the number of kernel calls, from
the product of these two quantities we have a time profile of a given
job run. If
QUDA_RESOURCE_PATH is set, then this profiling
information is output to the file "profile.tsv" in this specified
directory. Optionally, the output filename can be specified using the
QUDA_PROFILE_OUTPUT environment variable, to avoid overwriting
previously generated profile outputs. In addition to the kernel
profile, a policy profile, e.g., collections of kernels and/or other
algorithms that are auto-tuned, is also output to the file
"profile_async_async.tsv". The policy profile for example includes
the entire multi-GPU dslash, whose style and order of communication is
autotuned. Hence while the dslash kernel entries appearing the kernel
profile do include communucation time, the entries in the policy
profile include all constituent parts (halo packing, interior update,
communication and exterior update).
Using the Library:
Include the header file include/quda.h in your application, link against lib/libquda.a, and study tests/invert_test.cpp (for Wilson, clover, twisted-mass, or domain wall fermions) or tests/staggered_invert_test.cpp (for asqtad/HISQ fermions) for examples of the solver interface. The various solver options are enumerated in include/enum_quda.h.
For compatibility with CUDA, on 32-bit platforms the library is compiled with the GCC option -malign-double. This differs from the GCC default and may affect the alignment of various structures, notably those of type QudaGaugeParam and QudaInvertParam, defined in quda.h. Therefore, any code to be linked against QUDA should also be compiled with this option.
When the auto-tuner is active in a multi-GPU run it may cause issues with binary reproducibility of this run if domain-decomposition preconditioning is used. This is caused by the possibility of different launch configurations being used on different GPUs in the tuning run simultaneously. If binary reproducibility is strictly required make sure that a run with active tuning has completed. This will ensure that the same launch configurations for a given kernel is used on all GPUs and binary reproducibility.
Please visit http://lattice.github.com/quda for contact information. Bug reports are especially welcome.
If you find this software useful in your work, please cite:
M. A. Clark, R. Babich, K. Barros, R. Brower, and C. Rebbi, "Solving Lattice QCD systems of equations using mixed precision solvers on GPUs," Comput. Phys. Commun. 181, 1517 (2010) [arXiv:0911.3191 [hep-lat]].
When taking advantage of multi-GPU support, please also cite:
R. Babich, M. A. Clark, B. Joo, G. Shi, R. C. Brower, and S. Gottlieb, "Scaling lattice QCD beyond 100 GPUs," International Conference for High Performance Computing, Networking, Storage and Analysis (SC), 2011 [arXiv:1109.2935 [hep-lat]].
When taking advantage of adaptive multigrid, please also cite:
M. A. Clark, A. Strelchenko, M. Cheng, A. Gambhir, and R. Brower, "Accelerating Lattice QCD Multigrid on GPUs Using Fine-Grained Parallelization," International Conference for High Performance Computing, Networking, Storage and Analysis (SC), 2016 [arXiv:1612.07873 [hep-lat]].
When taking advantage of block CG, please also cite:
M. A. Clark, A. Strelchenko, A. Vaquero, M. Wagner, and E. Weinberg, "Pushing Memory Bandwidth Limitations Through Efficient Implementations of Block-Krylov Space Solvers on GPUs," To be published in Comput. Phys. Commun. (2018) [arXiv:1710.09745 [hep-lat]].
Several other papers that might be of interest are listed at http://lattice.github.com/quda .
- Ronald Babich (NVIDIA)
- Simone Bacchio (Cyprus)
- Michael Baldhauf (Regensburg)
- Kipton Barros (Los Alamos National Laboratory)
- Richard Brower (Boston University)
- Nuno Cardoso (NCSA)
- Kate Clark (NVIDIA)
- Michael Cheng (Boston University)
- Carleton DeTar (Utah University)
- Justin Foley (NIH)
- Joel Giedt (Rensselaer Polytechnic Institute)
- Arjun Gambhir (William and Mary)
- Steven Gottlieb (Indiana University)
- Kyriakos Hadjiyiannakou (Cyprus)
- Dean Howarth (Boston University)
- Balint Joo (Jefferson Laboratory)
- Hyung-Jin Kim (Samsung Advanced Institute of Technology)
- Bartek Kostrzewa (Bonn)
- Claudio Rebbi (Boston University)
- Guochun Shi (NCSA)
- Hauke Sandmeyer (Bielefeld)
- Mario Schröck (INFN)
- Alexei Strelchenko (Fermi National Accelerator Laboratory)
- Alejandro Vaquero (Utah University)
- Mathias Wagner (NVIDIA)
- Evan Weinberg (NVIDIA)
- Frank Winter (Jlab)
Portions of this software were developed at the Innovative Systems Lab, National Center for Supercomputing Applications http://www.ncsa.uiuc.edu/AboutUs/Directorates/ISL.html
Development was supported in part by the U.S. Department of Energy under grants DE-FC02-06ER41440, DE-FC02-06ER41449, and DE-AC05-06OR23177; the National Science Foundation under grants DGE-0221680, PHY-0427646, PHY-0835713, OCI-0946441, and OCI-1060067; as well as the PRACE project funded in part by the EUs 7th Framework Programme (FP7/2007-2013) under grants RI-211528 and FP7-261557. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the Department of Energy, the National Science Foundation, or the PRACE project.