gfortran segmentation fault checkgrad cart src_MD-M
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Mon, 27 Feb 2017 13:11:06 +0000 (14:11 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Mon, 27 Feb 2017 13:11:06 +0000 (14:11 +0100)
source/unres/src_MD-M/unres.F

index 2df2658..fab67a1 100644 (file)
@@ -408,7 +408,7 @@ c---------------------------------------------------------------------------
       include 'COMMON.SBRIDGE'
       double precision varia(maxvar)
       dimension ind(6)
       include 'COMMON.SBRIDGE'
       double precision varia(maxvar)
       dimension ind(6)
-      double precision energy(0:max_ene)
+      double precision energy(0:n_ene)
       logical eof
       eof=.false.
 #ifdef MPI
       logical eof
       eof=.false.
 #ifdef MPI
@@ -703,7 +703,7 @@ c---------------------------------------------------------------------------
       include 'COMMON.MD'
       include 'COMMON.SBRIDGE'
       common /srutu/ icall
       include 'COMMON.MD'
       include 'COMMON.SBRIDGE'
       common /srutu/ icall
-      double precision energy(0:max_ene)
+      double precision energy(0:n_ene)
 c      do i=2,nres
 c        vbld(i)=vbld(i)+ran_number(-0.1d0,0.1d0)
 c        if (itype(i).ne.10) 
 c      do i=2,nres
 c        vbld(i)=vbld(i)+ran_number(-0.1d0,0.1d0)
 c        if (itype(i).ne.10) 
@@ -776,7 +776,7 @@ c---------------------------------------------------------------------------
       include 'DIMENSIONS'
       include 'COMMON.IOUNITS'
       include 'COMMON.CONTROL'
       include 'DIMENSIONS'
       include 'COMMON.IOUNITS'
       include 'COMMON.CONTROL'
-      double precision energy(0:max_ene)
+      double precision energy(0:n_ene)
       call chainbuild
       call etotal(energy(0))
       call enerprint(energy(0))
       call chainbuild
       call etotal(energy(0))
       call enerprint(energy(0))