A Performance/Cost Evaluation for a GPU-Based Drug Discovery Application on Volunteer Computing

Table 4

Execution time in seconds of BINDSURF for the execution of ligand A (l1c4), ligand B (2byr), and ligand C (3p4w) in Ibercivis with different Monte Carlo steps. It is divided into total time (i.e., including submission overheads) and processing time.

Steps	Total time	Processing time
Ligand A (l1c4)
5	60.60	30893
10	61.88	24325
50	61.85	28469
500	130.79	31719
5000	1144.02	20840
50000	11467.09	28469
Ligand B (2byr)
5	65.5	24158
10	64.58	24116
50	69.72	43664
500	133.73	91752
5000	1161.78	27727
50000	10895.33	42469
Ligand C (3p4w)
5	72.82	46150
10	76.59	20016
50	86.77	1933
500	177.47	2016
5000	1190.07	31843
50000	12660.21	46150