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restricted printing to master when checking gradients

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This commit is contained in:
Marat Valiev 2004-12-08 20:11:26 +00:00
parent 019633d553
commit d62c25a04d
1 changed files with 5 additions and 3 deletions
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8
src/driver/opt_drv.F
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@ -1,6 +1,6 @@
logical function driver(rtdb)
*
* $Id: opt_drv.F,v 1.109 2004-11-29 16:00:04 bylaska Exp $
* $Id: opt_drv.F,v 1.110 2004-12-08 20:11:26 marat Exp $
*
implicit none
#include "errquit.fh"
@ -3164,7 +3164,8 @@ c
if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, e0))
$ call errquit('driver: could not get energy',0,0)
c
write(6,8) "comp","anal-g","num-g","error","hess","step","de"
if (ga_nodeid() .eq. 0)
> write(6,8) "comp","anal-g","num-g","error","hess","step","de"
8 format(1x,'checkgrad ',A5,4A16,2x,2A12)
c
do i = 1, ncart
@ -3212,7 +3213,8 @@ c
grad = (ep - em) / (2.d0*step)
hess = (ep+em-2.0d0*e0) / (2.d0*step*step)
c
write(6,7) i, gx(i), grad,abs(gx(i)-grad), hess, step, ep-e0
if (ga_nodeid() .eq. 0)
> write(6,7) i, gx(i), grad,abs(gx(i)-grad), hess, step, ep-e0
7 format(1x,'checkgrad ',i5,2f16.8,e16.8,f16.8,2x,2f12.6)
enddo
c