********>Bugfix 3 Author: Dave Case Date: 2/9/00 Programs: sander_classic Severity: routine forcemp.f may fail to compile -- only applies to shared memory machines Description: incorrect specification of a "if" statement, incorrect number of arguments to pairr Fix: apply the following patch to amber6/src/sander_classic/forcemp.f *** OLD forcemp.f.orig Wed Feb 9 15:20:21 2000 --- NEW forcemp.f Wed Feb 9 08:08:29 2000 *************** *** 408,414 **** C Set IPRR=0 after reading the pairlist the first time -- dap (6/93) C IF (IPRR.NE.0) THEN ! CALL PAIRR(NATOM,NPAIR,NHB,IX(I78),ipairs) IPRR = 0 ELSE IF (IEWALD .EQ. 1) THEN CALL SECOND(TIME0) --- 408,414 ---- C Set IPRR=0 after reading the pairlist the first time -- dap (6/93) C IF (IPRR.NE.0) THEN ! CALL PAIRR(NPAIR,NHB,IX(I78),ipairs) IPRR = 0 ELSE IF (IEWALD .EQ. 1) THEN CALL SECOND(TIME0) *************** *** 444,450 **** C For ligand grid calculations, need to determine additional pairs C for interactions to ligand atoms C ! IF (LGRON) THEN IF (FSTCLL .OR. (LGCLLS.GT.LGSKP-1 .OR. LGSKP.LE.0)) THEN C TINE LGNBAD(IAR1 ,IPAIRS ,JPW ,NPHIH , C * IPH ,KPH ,LPH ,NPHIA , --- 444,450 ---- C For ligand grid calculations, need to determine additional pairs C for interactions to ligand atoms C ! IF (LGRON.eq.1) THEN IF (FSTCLL .OR. (LGCLLS.GT.LGSKP-1 .OR. LGSKP.LE.0)) THEN C TINE LGNBAD(IAR1 ,IPAIRS ,JPW ,NPHIH , C * IPH ,KPH ,LPH ,NPHIA , Temporary workarounds: none Files affected: amber6/src/sander_classic/forcemp.f