From: Adam Sieradzan <adasko@piasek2.(none)>
Date: Mon, 7 Oct 2013 17:45:58 +0000 (+0200)
Subject: small correctian in wham
X-Git-Tag: v.3.2~3
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=f19e9bc0fb51e29ecaa5427e39ebb182bd578a02

small correctian in wham
---

diff --git a/source/cluster/wham/src/COMMON.SCCOR b/source/cluster/wham/src/COMMON.SCCOR
index 0857cd8..b0ec6f3 100644
--- a/source/cluster/wham/src/COMMON.SCCOR
+++ b/source/cluster/wham/src/COMMON.SCCOR
@@ -6,7 +6,7 @@ cc Parameters of the SCCOR term
       integer nterm_sccor,isccortyp,nsccortyp,nlor_sccor
       common/sccor/v1sccor(maxterm_sccor,3,20,20),
      &    v2sccor(maxterm_sccor,3,20,20),
-     &    v0sccor(maxterm_sccor,20),
+     &    v0sccor(ntyp,ntyp),
      &    vlor1sccor(maxterm_sccor,20,20),
      &    vlor2sccor(maxterm_sccor,20,20),
      &    vlor3sccor(maxterm_sccor,20,20),gloc_sc(3,0:maxres2,10),
diff --git a/source/cluster/wham/src/main_clust.F b/source/cluster/wham/src/main_clust.F
index a0ae38f..4b6478a 100644
--- a/source/cluster/wham/src/main_clust.F
+++ b/source/cluster/wham/src/main_clust.F
@@ -23,7 +23,7 @@ C
       logical printang(max_cut)
       integer printpdb(max_cut)
       integer printmol2(max_cut)
-      character*240 lineh
+      character*240 lineh,scrachdir2d
       REAL CRIT(maxconf),MEMBR(maxconf)
       REAL CRITVAL(maxconf-1)
       INTEGER IA(maxconf),IB(maxconf)
@@ -34,13 +34,13 @@ C
       DIMENSION NN(maxconf),DISNN(maxconf)
       LOGICAL FLAG(maxconf)
       integer i,j,k,l,m,n,len,lev,idum,ii,ind,ioffset,jj,icut,ncon,
-     & it,ncon_work,ind1
+     & it,ncon_work,ind1,ilen
       double precision t1,t2,tcpu,difconf
       
       double precision varia(maxvar)
       double precision hrtime,mintime,sectime
       logical eof
-
+      external ilen
 #ifdef MPI
       call MPI_Init( IERROR )
       call MPI_Comm_rank( MPI_COMM_WORLD, me, IERROR )
@@ -164,7 +164,8 @@ c          write (iout,'(2i4,i10,f10.5)') i,j,ind,DISS(IND)
      &     scount(0),idispl(0),MPI_REAL,Master,MPI_COMM_WORLD, IERROR)
       if (me.eq.master) then
 #endif
-      open(80,file='/tmp/distance',form='unformatted')
+      scrachdir2d=scratchdir(:ilen(scratchdir))//'distance'
+      open(80,file=scrachdir2d,form='unformatted')
       do i=1,ndis
         write(80) diss(i)
       enddo