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Joined: Sep 2003
Posts: 8,658 Likes: 26
Forum Member
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OP
Forum Member
Joined: Sep 2003
Posts: 8,658 Likes: 26 |
As reported here, compiling with +CONSHELIX e.g. ./install.com gnu xlarge M +REPDSTR +ASYNC_PME +GENCOMM +CMPI +CONSHELIXled to a compile time object name conflict-- CALL ECHEMD(ETERM(ECHDL),X,Y,Z,DX,DY,DZ,CRVEC,HDIST(I),D
Error: Name 'hdist' at (1) is an ambiguous reference to 'hdist' from module 'mmfp' make: *** [energy.o] Error 1The name conflict has existed since c39b1, when a change was made in the MMFP code. It can be resolved with the following source code changes; the incorrect lines are marked with a '-', and corrected lines are marked with a '+': ltm/conshelix_ltm.src+++ ltm/conshelix_ltm.src 2016-07-11
@@ -11,9 +11,9 @@
CEVEC(NCOOR,MXHEL),CRVEC(NCOOR,MXHEL), &
CPRVEC(NCOOR,MXSLT,MXHEL),CTVEC(NCOOR,MXHEL), &
CVEC(NCOOR,MXSLT,MXHEL),CU(9,MXHEL), &
CEV(3,MXHEL),CSVAL(2),CPVEC(NCOOR,MXSLT-2,MXHEL), &
- HDIST(MXCONSH),DFOR(MXCONSH),ANGL(MXCONSH),AFOR(MXCONSH)
+ HLXDST(MXCONSH),DFOR(MXCONSH),ANGL(MXCONSH),AFOR(MXCONSH)
INTEGER CCOUNT,MCOUNT,TCOUNT,RCOUNT,PCOUNT,XCOUNT,HBCOUNT
INTEGER NSEL(MXHEL,MXCONSH),CHNUM,OCHNUM, &
CHUNIT(MXCONSH),CHSTEP(MXCONSH), & energy/energy.src+++ energy/energy.src 2016-07-11
@@ -2788,9 +2788,9 @@
ENDDO
IF(LCOMM(I).AND.QETERM(ECHDL)) THEN
IF(PRNLEV >= 6) WRITE(OUTU,*) 'COM-COM CONSTRAINTS'
- CALL ECHE(ETERM(ECHDL),X,Y,Z,DX,DY,DZ,HDIST(I),DFOR(I),NNSEL, &
+ CALL ECHE(ETERM(ECHDL),X,Y,Z,DX,DY,DZ,HLXDST(I),DFOR(I),NNSEL, &
ASLCT(I)%a,BSLCT(I)%a,AMASS,CHUNIT(I),CHSTEP(I), &
ENEMIND,LQSTPRT,CCOUNT)
ELSE
IF(PRNLEV >= 6) WRITE(OUTU,*) 'Helix-Helix Constraints'
@@ -2808,9 +2808,9 @@
IF(.NOT.XANG(I).AND.QETERM(ECHDL)) THEN
IF(LPARL(I)) THEN
WRITE(OUTU,*) 'PARALLEL OR LIMITS: CONST. #',I,LPARL(I),LLIMIT(I)
ELSE
- CALL ECHEMD(ETERM(ECHDL),X,Y,Z,DX,DY,DZ,CRVEC,HDIST(I),DFOR(I),NNSEL, &
+ CALL ECHEMD(ETERM(ECHDL),X,Y,Z,DX,DY,DZ,CRVEC,HLXDST(I),DFOR(I),NNSEL, &
ASLCT(I)%a,BSLCT(I)%a,AMASS,CTVEC,CPRVEC,CAVEC,CU,CEV,CBVEC, &
CEVEC,CSVAL,CPVEC,OMLLIMIT,CHUNIT(I),CHSTEP(I),ENEMIND, &
LQSTPRT,MCOUNT,lbhg(i),lbhp(i))
ENDIF energy/conshelix.src+++ energy/conshelix.src 2016-07-11
@@ -132,11 +132,11 @@
LBHG(CHNUM)=(IndxA(Comlyn, Comlen,'BHG') > 0)
! B-hairpin mode (general moment of inertia) + sele (helix type-dna)
LBHP(CHNUM)=(IndxA(Comlyn, Comlen,'BHP') > 0)
!
- HDIST(CHNUM)=GTRMF(COMLYN,COMLEN,'DIST',-1.d0)
+ HLXDST(CHNUM)=GTRMF(COMLYN,COMLEN,'DIST',-1.d0)
!
- IF(HDIST(CHNUM) == -1.D0) THEN
+ IF(HLXDST(CHNUM) == -1.D0) THEN
!
! CONS HELIX ANGLe
! cross angle and tilt angle
ANGL(CHNUM)=GTRMF(COMLYN,COMLEN,'ANGL',-9999.d0)
Rick Venable computational chemist
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