###################################################################
-INSTALL_DIR = /users/software/mpich2-1.0.7
+#INSTALL_DIR = /users/software/mpich2-1.0.7
+INSTALL_DIR = /users/local/mpich2-1.4.1p1_gnu
+
+FC= gfortran -g
-FC= gfortran
OPT = -O
FFLAGS3 = -c -O -I$(INSTALL_DIR)/include
FFLAGSE = -c -O3 -I$(INSTALL_DIR)/include
-LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpthread xdrf/libxdrf.a
+LIBS = -L$(INSTALL_DIR)/lib -lmpich -lmpl xdrf/libxdrf.a
ARCH = LINUX
PP = /lib/cpp -P
C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-C 3 2 164
+C 3 2 187
subroutine cinfo
include 'COMMON.IOUNITS'
write(iout,*)'++++ Compile info ++++'
- write(iout,*)'Version 3.2 build 164'
- write(iout,*)'compiled Tue Sep 15 14:50:23 2015'
- write(iout,*)'compiled by adam@piasek4'
+ write(iout,*)'Version 3.2 build 187'
+ write(iout,*)'compiled Mon Feb 27 13:39:47 2017'
+ write(iout,*)'compiled by czarek@piasek4'
write(iout,*)'OS name: Linux '
- write(iout,*)'OS release: 3.2.0-70-generic '
+ write(iout,*)'OS release: 3.2.0-111-generic '
write(iout,*)'OS version:',
- & ' #105-Ubuntu SMP Wed Sep 24 19:49:16 UTC 2014 '
+ & ' #153-Ubuntu SMP Wed Sep 21 21:23:31 UTC 2016 '
write(iout,*)'flags:'
write(iout,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...'
write(iout,*)'FC= ifort'
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)
include 'DIMENSIONS'
include 'COMMON.IOUNITS'
include 'COMMON.CONTROL'
- double precision energy(0:max_ene)
+ double precision energy(0:n_ene)
logical debug /.false./
call chainbuild
call etotal(energy(0))