********> bugfix.36 Author: Bill Ross & Jim Caldwell Date: 8/25/95 Programs: sander Severity: moderate to serious Problem: crashes or wrong behavior when randomizing velocities w/ NTT<0 (crash depends on machine and problem being run) Cause: common block not included in routine that references variable Fix: Make the following change to newvel.f ------------------------------------------------------------------------- *** OLD newvel.f --- NEW newvel.f *************** *** 147,152 DIMENSION X(*),V(*),WINV(*),XCM(*),VCM(*),ACM(*),OCM(*),ENER(*), * F(*),ISCR(*),IBEL(*) LOGICAL NOPE C C Following explicitly declare all variables. Commented out here C for easy portablility to single precision machines, but can be re-included --- 147,153 ----- DIMENSION X(*),V(*),WINV(*),XCM(*),VCM(*),ACM(*),OCM(*),ENER(*), * F(*),ISCR(*),IBEL(*) LOGICAL NOPE + #include "nmr.h" C C Following explicitly declare all variables. Commented out here C for easy portablility to single precision machines, but can be re-included ------------------------------------------------------------------------- Temporary workarounds: don't use NTT<0 --