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Fixed a MAJOR error in WHAM; energies were computed inconsistently
[unres.git]
/
source
/
unres
/
src_MD
/
timing.F
diff --git
a/source/unres/src_MD/timing.F
b/source/unres/src_MD/timing.F
index
fb65430
..
5a81655
100644
(file)
--- a/
source/unres/src_MD/timing.F
+++ b/
source/unres/src_MD/timing.F
@@
-206,15
+206,15
@@
C syssec = timar(2)
#endif
#ifdef LINUX
#endif
#ifdef LINUX
-****************************
+c****************************
C Next definitions for sgi
real timar(2), etime
seconds = etime(timar)
Cd print *,'seconds=',seconds,' stime=',stime
C Next definitions for sgi
real timar(2), etime
seconds = etime(timar)
Cd print *,'seconds=',seconds,' stime=',stime
-C usrsec = timar(1)
-C syssec = timar(2)
+ usrsec = timar(1)
+ syssec = timar(2)
tcpu=seconds - stime
tcpu=seconds - stime
-****************************
+c****************************
#endif
#endif
@@
-232,7
+232,7
@@
C curtim=curtim(1:8)
#ifdef AIX
****************************
C Next definitions for RS6000
#ifdef AIX
****************************
C Next definitions for RS6000
- integer*4 i1,mclock
+c integer*4 i1,mclock
i1 = mclock()
tcpu = (i1+0.0D0)/100.0D0
#endif
i1 = mclock()
tcpu = (i1+0.0D0)/100.0D0
#endif