range of arrays: MaxProcs to NProcs

[unres4.git] / source / unres / MREMD.f90

diff --git a/source/unres/MREMD.f90 b/source/unres/MREMD.f90
index 92a1178..ef6ac04 100644 (file)
--- a/source/unres/MREMD.f90
+++ b/source/unres/MREMD.f90
@@ -7,7 +7,7 @@
       use remd_data
       use geometry_data
       use energy_data
-      use control_data, only:maxprocs
+!      use control_data, only:maxprocs
       use MDyn
 
       implicit none
@@ -82,21 +82,22 @@
       integer :: ERRCODE
       real(kind=8),dimension(3) :: L,vcm
       real(kind=8) :: energia(0:n_ene)
-      real(kind=8) :: remd_t_bath(maxprocs)
-      integer :: iremd_iset(maxprocs)
-      integer(kind=2) :: i_index(maxprocs/4,maxprocs/20,maxprocs/200,maxprocs/200)
-      real(kind=8) :: remd_ene(0:n_ene+4,maxprocs)
-      integer :: iremd_acc(maxprocs),iremd_tot(maxprocs)
-      integer :: iremd_acc_usa(maxprocs),iremd_tot_usa(maxprocs)
+      real(kind=8) :: remd_t_bath(Nprocs) !(maxprocs)
+      integer :: iremd_iset(Nprocs) !(maxprocs)
+      integer(kind=2) :: i_index(Nprocs/4,Nprocs/20,Nprocs/200,Nprocs/200)
+! (maxprocs/4,maxprocs/20,maxprocs/200,maxprocs/200)
+      real(kind=8) :: remd_ene(0:n_ene+4,Nprocs) !(0:n_ene+4,maxprocs)
+      integer :: iremd_acc(Nprocs),iremd_tot(Nprocs) !(maxprocs)
+      integer :: iremd_acc_usa(Nprocs),iremd_tot_usa(Nprocs) !(maxprocs)
       integer :: rstcount      !el ilen,
 !el      external ilen
       character(len=50) :: tytul
 !el      common /gucio/ cm
       integer :: itime
 !old      integer nup(0:maxprocs),ndown(0:maxprocs)
-      integer :: rep2i(0:maxprocs),ireqi(maxprocs)
-      integer :: icache_all(maxprocs)
-      integer :: status(MPI_STATUS_SIZE),statusi(MPI_STATUS_SIZE,maxprocs)
+      integer :: rep2i(0:Nprocs),ireqi(Nprocs) !(maxprocs)
+      integer :: icache_all(Nprocs) !(maxprocs)
+      integer :: status(MPI_STATUS_SIZE),statusi(MPI_STATUS_SIZE,Nprocs)! (MPI_STATUS_SIZE,maxprocs)
       logical :: synflag, end_of_run, file_exist = .false.!, ovrtim
 
       real(kind=8) :: delta,time00,time01,time001,time02,time03,time04,&
@@ -1333,7 +1334,8 @@
       real(kind=4) :: r_d(3,2*nres)
       real(kind=4) :: t5_restart1(5)
       integer :: iret,itmp
-      integer(kind=2) :: i_index(maxprocs/4,maxprocs/20,maxprocs/200,maxprocs/200)
+      integer(kind=2) :: i_index(Nprocs/4,Nprocs/20,Nprocs/200,Nprocs/200)
+      !(maxprocs/4,maxprocs/20,maxprocs/200,maxprocs/200)
 !el       common /przechowalnia/ d_restart1,d_restart2
       integer :: i,j,il,il1,ierr,ixdrf
 
@@ -1511,9 +1513,9 @@
       real(kind=4) :: xcoord(3,2*nres+2),prec
       real(kind=4) :: r_qfrag(50),r_qpair(100)
       real(kind=4) :: r_utheta(50),r_ugamma(100),r_uscdiff(100)
-      real(kind=4) :: p_qfrag(50*maxprocs),p_qpair(100*maxprocs)
-      real(kind=4) :: p_utheta(50*maxprocs),p_ugamma(100*maxprocs),&
-           p_uscdiff(100*maxprocs)
+      real(kind=4) :: p_qfrag(50*Nprocs),p_qpair(100*Nprocs) !(100*maxprocs)
+      real(kind=4) :: p_utheta(50*Nprocs),p_ugamma(100*Nprocs),&
+           p_uscdiff(100*Nprocs) !(100*maxprocs)
 !el      real(kind=4) :: p_c(3,(nres2+2)*maxprocs)
       real(kind=4) :: r_c(3,2*nres+2)
 !el      common /przechowalnia/ p_c
@@ -1743,7 +1745,8 @@
 !      include 'COMMON.INTERACT'
 !el      real(kind=4) :: d_restart1(3,2*nres*maxprocs)
       real(kind=4) :: r_d(3,2*nres),t5_restart1(5)
-      integer(kind=2) :: i_index(maxprocs/4,maxprocs/20,maxprocs/200,maxprocs/200)
+      integer(kind=2) :: i_index(Nprocs/4,Nprocs/20,Nprocs/200,Nprocs/200)
+      !(maxprocs/4,maxprocs/20,maxprocs/200,maxprocs/200)
 !el      common /przechowalnia/ d_restart1
       integer :: i,j,il,il1,ierr,itmp,iret,ixdrf