search

rmcgibbo / openmm-cmd

OpenMM Command Line Application
7 stars 3 forks source link

Include CPU platform eventually #19

Closed leeping closed 10 years ago

leeping commented 11 years ago

Currently the CPU platform doesn't give me any property names via getPropertyNames() . Because of this, I'm going to assume it's not fully ready yet.

rmcgibbo commented 11 years ago

I don't think the CPU platform has any platform properties (?), but I might be wrong about that.

leeping commented 10 years ago

Hi Robert,

You are right. Peter mentioned there are no platform properties right now. The platform is added. Here's the performance for the villin system (not a benchmark because not0rious is currently running some other processes.)

[OpenMM] Number of available platforms: 4
[OpenMM] Selected Platform: CPU

Progress   WallTime Left      Speed          Time            P.E.            K.E.        Total E.          Temp        Vol        Rho
     (%)       (d:h:m:s)   (ns/day)          (ps)        (kJ/mol)        (kJ/mol)        (kJ/mol)           (K)     (nm^3)     (g/mL)
  0.000%              ??       0.00       0.00000   -146047.80120     22703.73456   -123344.06664     303.03278    87.8659     1.0185
 10.000%            3:17       7.89       2.00000   -121339.99574     20484.10082   -100855.89492     273.40674    87.8659     1.0185
 20.000%            2:50       8.12       4.00000   -117099.67495     21469.79796    -95629.87699     286.56310    87.8659     1.0185
 30.000%            2:27       8.19       6.00000   -116640.04793     22272.86502    -94367.18291     297.28185    87.8659     1.0185
rmcgibbo commented 10 years ago

Sweet. Closing this then.