debud OFF

diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F
index b09e035..0fe17b0 100644 (file)
--- a/source/unres/src_MD-M/MD_A-MTS.F
+++ b/source/unres/src_MD-M/MD_A-MTS.F
@@ -1260,7 +1260,7 @@ c            accel(j)=aux(j)+0.5d0*(d_a(j,i)-d_a_old(j,i))
 c            if (dabs(accel(j)).gt.amax) amax=dabs(accel(j))
             if (dabs(accel(j)).gt.dabs(accel_old(j))) then
               dacc=dabs(accel(j)-accel_old(j))
-              write (iout,*) i,dacc
+c              write (iout,*) i,dacc
               if (dacc.gt.amax) amax=dacc
             endif
           enddo
@@ -1290,7 +1290,7 @@ c            accel(j)=accel(j)+d_a(j,i+nres)-d_a_old(j,i+nres)
 c          if (dabs(accel(j)).gt.amax) amax=dabs(accel(j))
           if (dabs(accel(j)).gt.dabs(accel_old(j))) then
             dacc=dabs(accel(j)-accel_old(j))
-            write (iout,*) "side-chain",i,dacc
+c            write (iout,*) "side-chain",i,dacc
             if (dacc.gt.amax) amax=dacc
           endif
         enddo

diff --git a/source/unres/src_MD-M/Makefile b/source/unres/src_MD-M/Makefile
index 1c14a63..16e85f4 100644 (file)
--- a/source/unres/src_MD-M/Makefile
+++ b/source/unres/src_MD-M/Makefile
@@ -16,8 +16,8 @@ INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
 #FC= /usr/local/opt/intel/compiler60/ia32/bin/ifc
 FC= ifort
 
-OPT =  -O3 -ip -w
-#OPT = -g -CB
+#OPT =  -O3 -ip -w
+OPT = -g -CB
 #OPT = -g
 CFLAGS = -DSGI -c
 

diff --git a/source/unres/src_MD-M/cinfo.f b/source/unres/src_MD-M/cinfo.f
index 6e11a50..213308f 100644 (file)
--- a/source/unres/src_MD-M/cinfo.f
+++ b/source/unres/src_MD-M/cinfo.f
@@ -1,10 +1,10 @@
 C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-C 2 3 3489
+C 2 3 3491
       subroutine cinfo
       include 'COMMON.IOUNITS'
       write(iout,*)'++++ Compile info ++++'
-      write(iout,*)'Version 2.3 build 3489'
-      write(iout,*)'compiled Mon Nov 26 04:04:56 2012'
+      write(iout,*)'Version 2.3 build 3491'
+      write(iout,*)'compiled Wed Dec 12 07:17:09 2012'
       write(iout,*)'compiled by aks255@matrix.chem.cornell.edu'
       write(iout,*)'OS name:    Linux '
       write(iout,*)'OS release: 2.6.34.9-69.fc13.x86_64 '
@@ -17,7 +17,7 @@ C 2 3 3489
       write(iout,*)'           -DSCCORPDB      '
       write(iout,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...'
       write(iout,*)'FC= ifort'
-      write(iout,*)'OPT =  -O3 -ip -w'
+      write(iout,*)'OPT = -g -CB'
       write(iout,*)'CFLAGS = -DSGI -c'
       write(iout,*)'FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include'
       write(iout,*)'FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...'