********> bugfix.66
Author:   Bill Ross
Date:     3/14/96

Programs: Gibbs

Severity: Slight

Problem:  MPI parallel version allows user to run polarization option 
          (ipol=1), but it is not supported by the code. This is clear
          when running the polar test cases; this fix stops the program
          at the beginning when the input is read.


Fix:  Make the following change to gibbs/mdread.f:
---------------------------------------------------------------------------
*** OLD mdread.f
--- NEW mdread.f
***************
*** 1085,1090
          write(6,'(/2x,a,i3,a)') 'ICHDNA (',ichdna,') must be 0 or 1.'
          inerr = 1
        endif
        if (ipol.ne.0 .and. ipol.ne.1) then
          write(6,'(/2x,a,i3,a)') 'IPOL (',ipol,') must be 0 or 1.'
          inerr = 1

--- 1085,1104 -----
          write(6,'(/2x,a,i3,a)') 'ICHDNA (',ichdna,') must be 0 or 1.'
          inerr = 1
        endif
+ #ifdef MPI
+ c     Polarization is currently not supported since this code has not
+ c     been parallelized (i.e. set-up to handle a distributed pairlist)
+ c     Running the MPI version with polarization will lead to bogus
+ c     results... (tec3)
+       if (ipol.ne.0) then
+          write(6,'(/2x,a,i3,a)') 'IPOL (',ipol,') must be 0.'
+          write(6,'(2x,a,/,a)')
+      .      'Polarization is not supported in the AMBER/MPI version.',
+      .      '-- You must recompile non-MPI or run without polar'
+          inerr=1
+       endif
+ #endif
+ 
        if (ipol.ne.0 .and. ipol.ne.1) then
          write(6,'(/2x,a,i3,a)') 'IPOL (',ipol,') must be 0 or 1.'
          inerr = 1
---------------------------------------------------------------------------

Temporary workarounds: Do not use ipol=1 on MPI parallel gibbs

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