********> bugfix.22
Author:   Bill Ross
Date:     6/12/95

Programs: sander

Severity: slight

Problem:  wrong 'Nonsetup' CPU time reported for dynamics when NRUN>1

Affects:  benchmarking when NRUN>1

Cause:    'start' time was recorded inside loop over NRUN so time
          only referred to last run

Fix:  Make the following change to sander.f
--------------------------------------------------------------------------
*** OLD sander.f
--- NEW sander.f
***************
*** 483,488
  C           ON THE TYPE OF RUN -----
  C
        CALL OUTOPN
  C
  C
  C ----------------------------------------------------------------------

--- 483,490 -----
  C           ON THE TYPE OF RUN -----
  C
        CALL OUTOPN
+       call second(wtim0)
+       call wall(itim1)
  C
  C
  C ----------------------------------------------------------------------
***************
*** 622,629
  
  c     ======================= END SHARED MEMORY =======================
  #endif
-       call second(wtim0)
-       call wall(itim1)
  C
  C ----------------------------------------------------------------------
  C Now do the minimization or dynamics.

--- 624,629 -----
  
  c     ======================= END SHARED MEMORY =======================
  #endif
  C
  C ----------------------------------------------------------------------
  C Now do the minimization or dynamics.
--------------------------------------------------------------------------

Temporary workarounds: do single-run benchmarks, as in amber41/bench/

Routines affected: sander