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. Author manuscript; available in PMC: 2011 Jun 7.
Published in final edited form as: SIAM J Sci Comput. 2011 Jan 1;33(2):826–848. doi: 10.1137/090764645

TABLE 7.4.

Comparison of APBS and PB-CFMM for the single ion example. The exact polarization energy is −81.450 kcal/mol with the interior and exterior dielectric constants 2 and 80.

solver
name		 h # degrees
of freedom		 Gpol
(kcal/mol)		 memory
(mb)		 time
(seconds)
4.0e-1 173 −87.663 1.4 0.56
2.0e-1 333 −84.476 8.2 1.18
APBS 1.0e-1 653 −82.178 59 8.83
5.0e-2 1293 −81.831 448 57.73
2.5e-2 2573 −81.594 3510 426.30
2.5e-1 82 −80.077 38 5.90
1.2e-1 162 −81.358 68 13.60
PB-CFMM 6.2e-2 322 −81.428 125 46.56
3.1e-2 642 −81.444 275 203.60
1.6e-2 1282 −81.449 995 830.09