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
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
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 '
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)...'