********> bugfix.87 Author: Piotr A Wielopolski, The Australian National University Date: April 96, 'officialized' 2/18/97 Programs: Gibbs Severity: For MPI, severe. Problem: Crashes or wrong results.. bond calculations not parallelized. Fix: Make the following change to gibb.f: ------------------------------------------------------------------------------- *** OLD gibb.f --- NEW gibb.f *************** *** 2557,2566 **** --- 2557,2574 ---- DIMENSION IB(*),JB(*),ICB(*),RK(*),REQ(*),X(*),F(*) DIMENSION XIJ(3) c + #ifdef MPI + # include "parallel.h" + #endif + C EB = 0.0d0 C + #ifdef MPI + do 30 N = mytaskid+1, NB, numtasks + #else DO 30 N = 1,NB + #endif I3 = IB(N) J3 = JB(N) IPC = ICB(N) *************** *** 5289,5295 **** --- 5297,5307 ---- C EB = 0.0d0 C + #ifdef MPI + do 30 N = mytaskid+1, NB, numtasks + #else DO 30 N = 1,NB + #endif I3 = IB(N) J3 = JB(N) IPC = ICB(N) ------------------------------------------------------------------------------- Temporary workarounds: Run with 1 processor. --