OK, seems like targetsym needs to be set. Now getting a nonsense number:
Fermi vacuum according to SCF wave function has been requested.
Inconsistent number of electrons in bwcc input n: 447
ne.nocc(s): 120 n0: 2097867219951104560
------------------------------------------------------------------------
tce_mrcc_readref 4
------------------------------------------------------------------------
Coming from code
do s = 1,2
do j = 1, nref
n = 0
n0 = 0
do i = 1, nmo(s)
n = n + iocc(i,j,s)
n0 = n0 + iocc0(i,s)
end do
if (n.ne.nocc(s) .or. n0.ne.nocc(s)) then
write(LuOut,*)
& 'Inconsistent number of electrons in bwcc input'
1 ,' n:',n,' ne.nocc(s):',nocc(s),' n0:',n0
call errquit('tce_mrcc_readref',4,UNKNOWN_ERR)
end if
end do
end do
So if I read this correctly,
n should be the number of occupied orbitals in configuration j, spin s
n0 should be the number of occupied orbitals in the reference HF determinant, spin s
I turned on the MRCC debug output, and I can't tell whether the output is just interleaved from multiple processes dumping at the same time, or if the references are really coming out different lengths. It looks a little like the latter--I see labels "Reference #" in order, but e.g., reference 1 has 4651 digits (all 0 or 1, presumably occupations) while reference 14 has 1400. They look like concatenations of a shorter occupation string. If anyone responds, I'll be happy to send output offline.
This is occurring with or without the "subgroupsize" and "improvetiling" options set.
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