changes to avoid PMPI_Scatterv: Invalid buffer pointer in Intel MPI
[unres.git] / source / unres / src_MD-M / COMMON.REMD
1       integer nrep,nstex
2       logical remd_tlist,remd_mlist,mremdsync,restart1file,traj1file
3       double precision retmin,retmax,remd_t(maxprocs)
4       integer remd_m(maxprocs),i_sync_step
5       integer*2 i2rep(0:maxprocs),i2set(0:maxprocs)
6       integer*2 ifirst(maxprocs)
7       integer*2 nupa(0:maxprocs/4,0:maxprocs),
8      &          ndowna(0:maxprocs/4,0:maxprocs)
9       real t_restart1(5,maxprocs)
10       integer iset_restart1(maxprocs)
11       common /remdcommon/ nrep,nstex,retmin,retmax,remd_t,remd_tlist,
12      &                    remd_mlist,remd_m,mremdsync,restart1file,
13      &                    traj1file,i_sync_step
14       common /remdrestart/ i2rep,i2set,ifirst,nupa,ndowna,t_restart1,
15      &                    iset_restart1
16       real totT_cache,EK_cache,potE_cache,t_bath_cache,Uconst_cache,
17      &     qfrag_cache,qpair_cache,c_cache,uscdiff_cache,
18      &     ugamma_cache,utheta_cache
19       integer ntwx_cache,ii_write,max_cache_traj_use
20       common /traj1cache/ totT_cache(max_cache_traj),
21      &                    EK_cache(max_cache_traj),
22      &                    potE_cache(max_cache_traj),
23      &                    t_bath_cache(max_cache_traj),
24      &                    Uconst_cache(max_cache_traj),
25      &                    qfrag_cache(50,max_cache_traj),
26      &                    qpair_cache(100,max_cache_traj),
27      &                    ugamma_cache(maxfrag_back,max_cache_traj),
28      &                    utheta_cache(maxfrag_back,max_cache_traj),
29      &                    uscdiff_cache(maxfrag_back,max_cache_traj),
30      &                    c_cache(3,maxres2+2,max_cache_traj),
31      &                    iset_cache(max_cache_traj),ntwx_cache,
32      &                    ii_write,max_cache_traj_use
33