=================================== Timing ===================================
MD calculations setup: 7.81250E-03
- Energy & gradient evaluation: 2.01211E+01
+ Energy & gradient evaluation: 2.00859E+01
Stochastic MD setup: 0.00000E+00
Stochastic MD step setup: 0.00000E+00
- MD steps: 2.12852E+01
+ MD steps: 2.13477E+01
============================ End of MD calculation ===========================
CG processor 0 is finishing work.
- Total wall clock time 21.3164062500000 sec
+ Total wall clock time 21.3789062500000 sec