********>Bugfix 64:
Author: Dave Case, original fix from Ross Walker and Mike Crowley
Date: 05/15/2007
Programs: sander
Description: Reciprocal PME energies are computed incorrectly with ifort 9.x
compilers (and maybe other versions?) for ia64 machines
Fix: apply the following patch to amber8/src/sander/ew_fft.f
------------------------------------------------------------------------------
*** ew_fft.f 22 Dec 2003 20:22:23 -0000 7.53
--- ew_fft.f 15 May 2007 15:01:35 -0000
***************
*** 348,357 ****
--- 348,362 ----
do i=1,n3left-1
nxyslab(i) = n3all+1
+ end do
+ do i=1,n3left-1
mxystart(i) = mxystart(i-1) + nxyslab(i-1)
end do
+
do i=max(n3left,1),numtasks-1
nxyslab(i) = n3all
+ end do
+ do i=max(n3left,1),numtasks-1
mxystart(i) = mxystart(i-1) + nxyslab(i-1)
end do
mxyslabs = nxyslab(mytaskid)
***************
*** 365,374 ****
--- 370,383 ----
do i=1,n2left-1
nxzslab(i) = n2all+1
+ end do
+ do i=1,n2left-1
mxzstart(i) = mxzstart(i-1) + nxzslab(i-1)
end do
do i=max(n2left,1),numtasks-1
nxzslab(i) = n2all
+ end do
+ do i=max(n2left,1),numtasks-1
mxzstart(i) = mxzstart(i-1) + nxzslab(i-1)
end do
mxzslabs = nxzslab(mytaskid)
------------------------------------------------------------------------------
Temporary workarounds: none