From: Adam Sieradzan Date: Mon, 12 Oct 2015 09:11:08 +0000 (+0200) Subject: debug off X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=c757fb796944088d1e00e131f1c2f9591d1deeda debug off --- diff --git a/source/unres/src_MD-M/rmsd.F b/source/unres/src_MD-M/rmsd.F index 58c4a1b..907d448 100644 --- a/source/unres/src_MD-M/rmsd.F +++ b/source/unres/src_MD-M/rmsd.F @@ -43,7 +43,7 @@ c--------------------------------------------------------------------------- rminroz=100d2 c print *,"nz_start",nz_start," nz_end",nz_end c if (symetr.le.1) then - print *,nperm,"nperm" +C print *,nperm,"nperm" do kkk=1,nperm c do i=nz_start,nz_end c iatom=iatom+1 @@ -83,11 +83,11 @@ c endif c ----- diagnostics C do kkk=1,nperm - write (iout,*) 'Ccopy and CREFcopy adasko',iatom - print '(i5,3f10.5,5x,3f10.5)',(k,(ccopy(j,k),j=1,3), - & (crefcopy(j,k),j=1,3),k=1,iatom) - write (iout,'(i5,3f10.5,5x,3f10.5)') (k,(ccopy(j,k),j=1,3), - & (crefcopy(j,k),j=1,3),k=1,iatom) +C write (iout,*) 'Ccopy and CREFcopy adasko',iatom +C print '(i5,3f10.5,5x,3f10.5)',(k,(ccopy(j,k),j=1,3), +C & (crefcopy(j,k),j=1,3),k=1,iatom) +C write (iout,'(i5,3f10.5,5x,3f10.5)') (k,(ccopy(j,k),j=1,3), +C & (crefcopy(j,k),j=1,3),k=1,iatom) C enddo Cc ----- end diagnostics c do kkk=1,nperm @@ -109,7 +109,7 @@ c call mpi_abort(mpi_comm_world,ierror,ierrcode) stop #endif endif - write (iout,*) "roznica", roznica,kkk +C write (iout,*) "roznica", roznica,kkk if (roznica.le.rminroz) rminroz=roznica enddo drms=dsqrt(dabs(rminroz))