HISQ mixed precision deflation

For this case study we are using a 48x48x48x12 configuration as provided by the HotQCD collaboration.

Parameter	Value
Volume	48x48x48x12
Gauge action	Improved Symanzik
beta	6.794
Fermion action	HISQ fermions
light quark mass	0.00167
strange quark mass	0.0450

Here were are going to examine the quark mass dependence of the solve time as we scale from the light to strange quark masses and progressively optimize the solver with mixed precision and deflation. For this study we are using the staggered_invert_test example code that is included with QUDA and run on a workstation using 2x Quadro GV100 GPUs. All of these runs are done using a launch syntax of the form

export QUDA_RESOURCE_PATH.
ARGS="--dim 48 48 24 12 --gridsize 1 1 2 1 --load-gauge /scratch/mathias/l4812f21b6794m00167m0450c_130.quda --compute-fat-long true --test 1"

mpirun -np 2 tests/staggered_invert_test $ARGS $RECON $PREC $SOLVER $EIG --mass 0.00167 --verbosity verbose

where we will adjust the variables SOLVER, PREC, and RECON according to the solver parameters as desired.

Starting point - Pure Double CG solver

Our initial starting point is using a standard double precision CG solver. This uses the parameters:

SOLVER="--inv-type cg --tol 1e-10 --reliable-delta 0.001 --niter 20000"
PREC="--prec double"

which means we run a CG solver to a relative residual tolerance of 1e-10, reliably updating the true residual every time the iterated residual drops by 3 orders of magnitude, with a maximum iteration count of 20000 using double precision only.

With HISQ fermions we can also use compression on the long-link field to reduce the memory traffic. We do so with these parameters

RECON="--recon 13 --recon-sloppy 9"

where we only use the maximal reconstruct-9 compression on the sloppy updates to ensure stability. In doing so we that the iteration count is constant, and we improve the overall solve time by around 1.2x. From now on, we will assume that gauge compression is always used.

	no-recon			recon 13/9
Mass	Iterations	Time	GFLOPS	Iterations	Time	GFLOPS
0.00167	6178	20.9	468	6178	17.5	556
0.00334	4551	15.4	467	4551	12.9	557
0.00668	2621	8.89	467	2621	7.46	556
0.01336	1431	4.87	467	1431	4.09	556
0.02672	759	2.60	467	759	2.18	556
0.05344	400	1.39	467	400	1.16	556

Mixed-Precision CG

The first significant performance boost is to enable mixed-precision CG. To do so, we simple set the sloppy precision to a lower precision than the outer solver precision. Valid values are single, half and quarter, with the latter two formats being QUDA's custom block-fixed-point formats. E.g.,

SOLVER="--inv-type cg --tol 1e-10 --reliable-delta 0.1 --niter 10000"
PREC="--prec double --prec-sloppy single"

Note we also change the reliable-delta parameter such that the true residual is recomputed every time the residual drops by an order of magnitude. This is to minimize the divergence of the solver due to the reduced precision.

	double-single			double-half			double-quarter
Mass	Iterations	Time	GFLOPS	Iterations	Time	GFLOPS	Iterations	Time	GFLOPS
0.00167	6179	8.73	1120	7710	6.65	1830	14973	8.59	2760
0.00334	4552	6.43	1120	5118	4.40	1830	7786	4.51	2730
0.00668	2621	3.72	1120	2884	2.51	1820	3790	2.24	2690
0.01336	1431	2.04	1110	1456	1.29	1800	1869	1.13	2640
0.02672	759	1.01	1100	759	0.678	1790	900	0.570	2540
0.05344	400	0.594	1090	400	0.374	1730	487	0.325	2440

These results demonstrate that more GFLOPS doesn't mean reduced time to solution. In particular we see that

• the double-single solver has almost identical iteration count to the pure double solver, and as a result has the expected ideal 2x speedup
• while the double-half shows increased iteration count at small quark mass, overall it is stable and represents the sweet spot with a 2.6x speedup over the pure double solver at the light quark mass and 3.1x speedup at the heavy quark mass
• the double-quarter solver is not numerically stable as we reduce the quark mass. At the light quark mass we more than double the iteration count for a solve time similar to the double-single solver, though at heavy quark masses we achieve a 3.6x speedup

Deflation

Parameter Tuning

We now consider adding deflation to accelerate the solver with the goal of removing the critical slowing down with quark mass of the solver. For this we shall use the thick-restarted Lanczos eigensolver implemented in QUDA, the usage of which requires some consideration with respect to the parameters to use.

• The number of eigenvectors to deflate with. This will of course be problem dependent, a greater deflation space will result in a better conditioned system to solve with, but increases the setup time, memory costs and deflation overhead. There are actually two parameters exposed in QUDA: the number of eigenvectors we attempt to converge and the number of eigenvectors that are required to converge. The number of deflation modes we will use corresponds to the latter.
• The size of the Krylov space the eigen-solver should construct before triggering a restart. Typically this is 1.2-2x larger than the number of the desired eigenvalues.
• Polynomial acceleration parameters: for finding the low eigenvalues of an operator it is usually optima to use polynomial acceleration to isolate the part of the eigen-spectrum one is interested in.
• The precision of the eigensolver. In principle we can run the eigensolver in any of the precisions possible in QUDA, however, as we shall see below, in practice it probably only makes sense to consider running in single or half precision.
• How often to re-deflate the residual. In infinite precision, the deflation need only be applied once prior to the solver, however, in finite precision, and especially with mixed-precision, we will need to re-deflate the residual vector to ensure optimal convergence.

Before we consider the full mass sweep we initially focus on getting the eigenvectors for the light quark mass only. To enable deflation in QUDA's solver we use the following options

--prec-precondition # precision of the eigensolver and subsequent deflation"
--inv-deflate       # enable initial eigen-solver and deflation
--eig-poly-deg      # use polynomial acceleration of degree n
--eig-amax          # sets the upper bound for the polynomial acceleration
--eig-amin          # set the lower bound of the polynomial acceleration
--eig-nEv           # number of eigenvectors to find
--eig-nConv         # number of converged eigenvectors required
--eig-nKr           # size of Krylov search space
--eig-tol           # tolerance of the eigensolver
--df-tol-restart    # how often to re-deflate the residual

The part that can require some tuning and care is deciding how many eigenvectors to deflate and picking the polynomial acceleration parameters. Both of these require per problem, or at least per fermion action tuning. While we cover the basics of the tuning here, for more through details we refer the reader here.

Needing to start somewhere, we pick a Chebyshev polynomial of degree 50. Next we need to set the part of the spectrum we desired to be excluded in order to accelerate the eigensolver. The --eig-amax parameter should correspond to a value greater than the largest eigenvalue of the operator. We can quickly get this value using a Raleigh quotient. This in turn can be quickly obtained if we run the CA-CG solver in the Chebyshev basis - if the user has not specified the bounds of the operator the solver will first approximate the largest eigenvalue bound using a Raleigh quotient:

SOLVER="--inv-type ca-cg --ca-basis-type chebyshev..."

We then obtain

Current Rayleigh Quotient step 1 is 1.338594e+01
Current Rayleigh Quotient step 11 is 1.933278e+01
Current Rayleigh Quotient step 21 is 2.009618e+01
Current Rayleigh Quotient step 31 is 2.037128e+01
Current Rayleigh Quotient step 41 is 2.050621e+01
Current Rayleigh Quotient step 51 is 2.058508e+01
Current Rayleigh Quotient step 61 is 2.063649e+01
Current Rayleigh Quotient step 71 is 2.067257e+01
Current Rayleigh Quotient step 81 is 2.069923e+01
Current Rayleigh Quotient step 91 is 2.071974e+01
CA-CG Approximate lambda max = 1.1 x 2.073598e+01

Hence we can safely use --eig-amax 22. The lower bound requires a bit more tuning, which we do iteratively starting from a larger than optimal value and decrease until we find fast convergence, being careful not to decrease too far. In the TRLM solver output, the metric of interest is the line

TRLM computed the requested 16 vectors in 63 restart steps and 949 OP*x operations.

which tells us the number of solver restarts required and the number of polynomial applications required. The cost will scale roughly as the product of the polynomial degree and the number of OP*x operations.

As an example, we run with the following parameters

PREC="--prec double --prec-sloppy half --prec-precondition single"
EIG="--inv-deflate true --eig-amax 22 --eig-amin 1.0 --eig-poly-deg 50 --eig-nEv 16 --eig-nConv 16 --eig-nKr 32 --eig-tol 1e-6"

to obtain the lowest 16 eigenvectors of the operator and use these to deflate the operator. Here we are running the eigensolver in single precision.

poly-deg	eig-min	eig-max	restarts	OP*x	setup time
50	1.0	22	63	949	60.9
50	0.1	22	34	518	33.3
50	0.01	22	23	350	22.6
80	0.01	22	15	238	24.6
80	0.001	22	12	191	19.6

Pushing the lower bound to 0.0001 resulted in lack of convergence, indicating that we had encroached on the desired eigen spectrum. At this point we conclude that we have reasonable parameters to obtain the lowest 16 eigen vectors.

The goal now is to find a suitable number of eigenvectors for an optimal deflation to minimize the time to solution of the final solver. Note as we increase the number of eigenvectors, the upper bound of the deflation spectrum will increase; this in turn will require that we increase the lower bound of the polynomial acceleration.

Below we give results from generating 32-512 eigenvectors. We can see that while doubling the number of eigenvectors comes with increased code, the cost is milder than linear scaling.

nConv	nEig	nKr	poly-deg	eig-min	eig-max	restarts	OP*x	setup time
32	32	64	80	0.001	22	12	191	19.6
64	64	128	80	0.005	22	8	240	24.8
128	128	256	80	0.005	22	4	271	28.3
256	256	512	80	0.01	22	2	353	37.6
512	512	1024	80	0.01	22	1	512	55.8