ctest ala10 binary location fix
[unres.git] / source / unres / src_MD-M / COMMON.MD
1       double precision  gcart, gxcart, gradcag,gradxag
2       common /mdgrad/ gcart(3,0:MAXRES), gxcart(3,0:MAXRES),
3      & gradcag(3,MAXRES),gradxag(3,MAXRES)
4        integer dimen,dimen1, dimen3, ifrag(2,50,maxprocs/20), 
5      &                       ipair(2,100,maxprocs/20),iset,
6      &                       mset(maxprocs/20),nset
7        double precision IP,ISC(ntyp+1),mp,
8      & msc(ntyp+1),d_t_work(MAXRES6),
9      & d_t_work_new(MAXRES6),d_t(3,0:MAXRES2),d_t_new(3,0:MAXRES2),
10      & d_af_work(MAXRES6),d_as_work(MAXRES6),
11      & d_t_old(3,0:MAXRES2),d_a_old(3,0:MAXRES2),d_a_short(3,0:MAXRES2),
12      & Gmat(MAXRES2,MAXRES2),Ginv(MAXRES2,MAXRES2),A(MAXRES2,MAXRES2),
13      & d_a(3,0:MAXRES2),d_a_work(6*MAXRES),kinetic_force(MAXRES6),
14      & Gsqrp(MAXRES2,MAXRES2),Gsqrm(MAXRES2,MAXRES2),
15      & vtot(MAXRES2),Gvec(maxres2,maxres2),Geigen(maxres2)
16        double precision v_ini,d_time,d_time0,t_bath,tau_bath,
17      & EK,potE,potEcomp(0:n_ene+4),totE,totT,amax,kinetic_T,dvmax,damax,
18      & edriftmax,
19      & eq_time,wfrag(50,maxprocs/20),wpair(100,maxprocs/20),
20      & qfrag(50),qpair(100),
21      & qinfrag(50,maxprocs/20),qinpair(100,maxprocs/20),
22      & Ucdfrag,Ucdpair,dUdconst(3,0:MAXRES),Uconst,
23      & dUdxconst(3,0:MAXRES),dqwol(3,0:MAXRES),dxqwol(3,0:MAXRES),
24      & utheta(maxfrag_back),ugamma(maxfrag_back),uscdiff(maxfrag_back),
25      & dutheta(maxres),dugamma(maxres),duscdiff(3,maxres),
26      & duscdiffx(3,maxres),wfrag_back(3,maxfrag_back,maxprocs/20),
27      & uconst_back
28       integer n_timestep,ntwx,ntwe,lang,count_reset_moment,
29      & count_reset_vel,reset_fricmat,nfrag,npair,nfrag_back,
30      & ifrag_back(3,maxfrag_back,maxprocs/20),ntime_split,ntime_split0,
31      & maxtime_split
32       logical large,print_compon,tbf,rest,reset_moment,reset_vel,
33      & surfarea,rattle,usampl,mdpdb,RESPA
34       integer igmult_start,igmult_end,my_ng_count,ng_start,ng_counts,
35      & nginv_start,nginv_counts,myginv_ng_count
36       common /back_constr/ uconst_back,utheta,ugamma,uscdiff,
37      & dutheta,dugamma,duscdiff,duscdiffx,
38      & wfrag_back,nfrag_back,ifrag_back
39       common /qmeas/ qfrag,qpair,qinfrag,qinpair,wfrag,wpair,eq_time,
40      & Ucdfrag,Ucdpair,dUdconst,dUdxconst,dqwol,dxqwol,Uconst,
41      & iset,mset,nset,usampl,ifrag,ipair,npair,nfrag
42       common /mdpar/ v_ini,d_time,d_time0,scal_fric,
43      & t_bath,tau_bath,dvmax,damax,n_timestep,mdpdb,
44      & ntime_split,ntime_split0,maxtime_split,
45      & ntwx,ntwe,large,print_compon,tbf,rest
46       common /MDcalc/ totT,totE,potE,potEcomp,EK,amax,edriftmax,
47      & kinetic_T
48       common /lagrange/ d_t,d_t_old,d_t_new,d_t_work,
49      & d_t_work_new,d_a,d_a_old,d_a_work,d_af_work,d_as_work,d_a_short,
50      & kinetic_force,
51      & A,Ginv,Gmat,Gvec,Geigen,Gsqrp,Gsqrm,
52      & vtot,dimen,dimen1,dimen3,lang,
53      & reset_moment,reset_vel,count_reset_moment,count_reset_vel,
54      & rattle,RESPA
55       common /inertia/ IP,ISC,MP,MSC
56       double precision scal_fric,rwat,etawat,gamp,
57      & gamsc(ntyp1),stdfp,stdfsc(ntyp),stdforcp(MAXRES),
58      & stdforcsc(MAXRES),pstok,restok(ntyp+1),cPoise,Rb
59       common /langevin/ pstok,restok,gamp,gamsc,
60      & stdfp,stdfsc,stdforcp,stdforcsc,rwat,etawat,cPoise,Rb,surfarea,
61      & reset_fricmat
62       common /mdpmpi/ igmult_start,igmult_end,my_ng_count,
63      & myginv_ng_count,
64      & ng_start(0:MaxProcs-1),ng_counts(0:MaxProcs-1),
65      & nginv_start(0:MaxProcs),nginv_counts(0:MaxProcs-1)