Merge pull request #2516 from peastman/benchmark

Fixed errors in benchmark script

examples/benchmark.py

@@ -131,16 +131,14 @@ parser = ArgumentParser()
 platformNames = [mm.Platform.getPlatform(i).getName() for i in range(mm.Platform.getNumPlatforms())]
 parser.add_argument('--platform', dest='platform', choices=platformNames, help='name of the platform to benchmark')
 parser.add_argument('--test', dest='test', choices=('gbsa', 'rf', 'pme', 'apoa1rf', 'apoa1pme', 'apoa1ljpme', 'amoebagk', 'amoebapme'), help='the test to perform: gbsa, rf, pme, apoa1rf, apoa1pme, apoa1ljpme, amoebagk, or amoebapme [default: all]')
-parser.add_argument('--pme-cutoff', default='0.9', dest='cutoff', type='float', help='direct space cutoff for PME in nm [default: 0.9]')
-parser.add_argument('--seconds', default='60', dest='seconds', type='float', help='target simulation length in seconds [default: 60]')
+parser.add_argument('--pme-cutoff', default=0.9, dest='cutoff', type=float, help='direct space cutoff for PME in nm [default: 0.9]')
+parser.add_argument('--seconds', default=60, dest='seconds', type=float, help='target simulation length in seconds [default: 60]')
 parser.add_argument('--polarization', default='mutual', dest='polarization', choices=('direct', 'extrapolated', 'mutual'), help='the polarization method for AMOEBA: direct, extrapolated, or mutual [default: mutual]')
-parser.add_argument('--mutual-epsilon', default='1e-5', dest='epsilon', type='float', help='mutual induced epsilon for AMOEBA [default: 1e-5]')
+parser.add_argument('--mutual-epsilon', default=1e-5, dest='epsilon', type=float, help='mutual induced epsilon for AMOEBA [default: 1e-5]')
 parser.add_argument('--heavy-hydrogens', action='store_true', default=False, dest='heavy', help='repartition mass to allow a larger time step')
 parser.add_argument('--device', default=None, dest='device', help='device index for CUDA or OpenCL')
 parser.add_argument('--precision', default='single', dest='precision', choices=('single', 'mixed', 'double'), help='precision mode for CUDA or OpenCL: single, mixed, or double [default: single]')
 args = parser.parse_args()
-if len(args) > 0:
-    parser.error('Unknown argument: '+args[0])
 if args.platform is None:
     parser.error('No platform specified')
 print('Platform:', args.platform)