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Performance of Surface Routines

Systems studied:
Met-enkephalin; 5 amino acid residues.
Tendamistat; 74 amino acid residues.
Method:
elapsed CPU time (as reported by SGI FORTRAN function DTIME) spent in conjugate gradient energy minimization.
Hardware:
Silicon Graphics Indigo² with 195 MHz MIPS R10000 CPU.

Molecule Met-enkephalin Tendamistat

Routine PARAREA GETAREA PARAREA GETAREA

Total CPU time [s] 33.4 17.8 823 437

CPU time spent in surface routine [s] 26.0 11.1 573 182

Number of routine invocations 1302 1215 1349 1382

CPU time per invocation [s] 0.020 0.009 0.425 0.132

Ratio (P/G) 2.22 3.22

Robert Fraczkiewicz
Wed Feb 5 14:58:43 CST 1997

Performance of Surface Routines Systems studied: Met-enkephalin; 5 amino acid residues. Tendamistat; 74 amino acid residues. Method: elapsed CPU time (as reported by SGI FORTRAN function DTIME) spent in conjugate gradient energy minimization. Hardware: Silicon Graphics Indigo² with 195 MHz MIPS R10000 CPU.
Molecule	Met-enkephalin		Tendamistat
Routine	PARAREA	GETAREA	PARAREA	GETAREA
Total CPU time [s]	33.4	17.8	823	437
CPU time spent in surface routine [s]	26.0	11.1	573	182
Number of routine invocations	1302	1215	1349	1382
CPU time per invocation [s]	0.020	0.009	0.425	0.132
Ratio (P/G)	2.22		3.22