Table 5. Wall Times and Corresponding Peak Performance Utilizations Measured for Medium-Sized Systems.

							wall time		% performance
species	atoms	no. of AOs	no. of AFs	FNO threshold	% NOa	% NAFb	CCSD [min]c	(T) [h]	CCSD	(T)
FLPOd	41	1037	2500	5 × 10–5	60	39	13	15	47	50
				10–5	81	53	40	57	53	45
TSAddd	43	1071	2578	5 × 10–5	59	38	15	16	47	55
				10–5	81	53	47	74	53	42
FLPAd	43	1071	2578	5 × 10–5	59	38	15	16	47	55
				10–5	81	53	45	75	55	41
OOe	40	1089	2620	5 × 10–5	63	41	5	4.6	35	55
				10–5	82	53	13	13	37	58
TS1e	40	1089	2620	5 × 10–5	63	41	5	4.9	34	53
				10–5	83	54	13	16	38	46
ABPe	31	1569	3671	5 × 10–5	41	31	4	2.6	35	51
				10–5	65	48	17	13	44	60

^aPercentage of active virtual NOs.

^bPercentage of retained NAFs with the threshold set to 5 × 10^–2.

^cTime of one iteration.

^dPerformed on two 12-core Intel Xeon E5-2670 v3 CPUs clocked at 2.3 GHz.

^ePerformed on four 28-core Intel Xeon Platinum 8180M CPUs clocked at 1.7 GHz.