As the subject says, this is a 1-proc v. 2-proc error that I've never
seen.  Namely, it involves the job attached.  It fails using both 1
processor of 1 node in a Xeon cluster and on an 1-proc XP1000 running
Tru64.  The failure is in the first MULTI calc and it dies with FORTRAN
STOP MXDEL (line 152, muint2.f, I think).  But, run it using 2
processors, 1 node on that cluster, and the job succeeds (I can't on the
Alpha).

Obviously, this isn't a 32-bit v. 64-bit error, but a 1- v. 2-proc
error.  Does anyone have advice as to how to solve this?  Does it need
more memory, what?  

Should I submit it to Bugzilla?

Thanks,
Matt
-- 
I am a theoretical chemist.  Fear me!  Please.
 Matt Thompson -- http://ucsub.colorado.edu/~thompsma/
 440 UCB, Boulder, CO  80309-0440
 JILA A510, 303-492-4662
***,ibr-
memory,90,M
gprint,basis
gthresh,orbital=1.d-6,civec=1.d-6
!gprint,cpu
!include,lsincludeibr
molecule='IBr-'

!distances=[20,40] BOHR
distances=[20] BOHR
refdist=[20] BOHR
dr = 0.0005 BOHR

rbr=refdist
ri=-1.0*refdist

geometry={i,,,,ri;br,,,,rbr}

basis={
ecp,br,ecp10mdf;
spdf,br,ecp10mdf_vtz;c;
ecp,i,ecp28mdf;
spdf,i,ecp28mdf_vtz;c;
}

!----------------------------
TEXT,Precursor HF on IBr2-
!----------------------------
hf;wf,52,1,0;maxit,60;

!----------------------------
TEXT,Precursor MCSCF on IBr2-
!----------------------------
multi;wf,52,1,0;

!--------------
TEXT,HF on IBr-
!--------------
hf;wf,51,1,1;orbital,2100.2;

set,symmetry=[2,3,1];
set,mcstate=[2,2,2];
set,nelec=51;
set,spin=1;
set,mcorb=2140.2;
multi;

do idist=1,#distances
        rbr=distances($idist)
        ri=-1.0*distances($idist)
        dist=2.0*$rbr
        
        set,symmetry=[2,3,1];
        set,mcstate=[2,2,2];
        set,nelec=51;
        set,spin=1;
        if (idist.gt.1) then
                multi;orbital,2140.2;diab,2140.2
        else
                multi;orbital,2140.2
        endif

        !------------------------
        TEXT, CI calc, excitation
        !------------------------
        do ici=1,#symmetry
                set,cisymm=symmetry(ici)
                set,cistate=2
                set,cisave=7000.2 + ($ici*10)
                set,cidmsave=9000.2 + ($ici*10)
                ci;dm,cidmsave
                clear,cisave,cisymm,energp,energy,cidmsave
        enddo

        input_wf=$ci_save

        ci;hlsmat,ecp,7010.2,7020.2,7030.2;print,hls=2,vls=3;

enddo

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