>> cd md_parallel >> results = md_wrap ( 7 ) +---------------------------------------------------------------------------+ | This system is for authorized users only. Users accessing this system | | consent to the monitoring, recording and/or disclosure of all activity | | while using this system. | | | | Usage of this system is subject to the terms of the Virginia Tech | | Acceptable Use Guidelines (http://www.policies.vt.edu/acceptableuse.php) | +---------------------------------------------------------------------------+ 3997.admin01 Time to submit the batch job (s): 16.01 (s) Elapsed time with 7 labs is: 111.67 (s) Time to retrieve results (s): 0.01 (s) Warning: Unable to change to requested working directory. Reason :Cannot CD to /Users/burkardt/public_html/m_src/md_parallel (Name is nonexistent or not a directory). > In distcomp/private/pctExecuteScript at 15 In distcomp/private/dctEvaluateFunction>iEvaluateWithNoErrors at 21 In distcomp/private/dctEvaluateFunction at 7 In distcomp/private/dctEvaluateTask>iEvaluateTask at 214 In distcomp/private/dctEvaluateTask at 58 In distcomp_evaluate_filetask>iDoTask at 96 In distcomp_evaluate_filetask at 38 MD_PARALLEL MATLAB version A molecular dynamics program. NP, the number of particles is 1000. STEP_NUM, the number of time steps, is 500. DT, the time step size, is 0.000100 seconds. Initializing positions, velocities, and accelerations. Computing initial forces and energies. At each step, we report the potential and kinetic energies. The sum of these energies should be a constant. As an accuracy check, we also print the relative error in the total energy. Step Potential Kinetic (P+K-E0)/E0 Energy P Energy K Relative Energy Error 0 498117.615372 0.000000 0.000000e+00 50 498117.532370 0.083011 1.736866e-11 100 498117.272932 0.342448 1.481327e-11 150 498116.836820 0.778556 7.739674e-12 200 498116.223752 1.391617 -6.166101e-12 250 498115.433330 2.182028 -2.917385e-11 300 498114.465042 3.150299 -6.360759e-11 350 498113.318260 4.297057 -1.117491e-10 400 498111.992241 5.623044 -1.759688e-10 450 498110.486125 7.129119 -2.585045e-10 500 498108.798940 8.816252 -3.616100e-10 MD_PARALLEL Normal end of execution. pe = 4.9811e+05 ke = 8.8163 e_lost = -3.6161e-10 results = [1x1 struct] >>