[Debichem-devel] Bug#687264: aces3: MPI communication error

[Michael Banck]

Package: aces3
Version: 3.0.6-1
Severity: important

When I run a CCSD calculation (regular HF or MP2 calculation seem fine),
I get the following error and the calculation aborts when using 2 (or
more) MPI processes:

 Error: Cannot find array        32526  in served array table
 ABORT JOB on server            1  SERVER TABLE:

The input file is as follows:

H2 test of rhf ccsd energy in an cc-pvdz basis
H   0.0  0.0  0.0
H   0.0  0.0  1.0

*ACES2(CALC=ccsd,BASIS=CC-PVDZ
spherical=on
REF=RHF,UNITS=BOHR
COORDINATES=CARTESIAN
SCF_CONV=6
SYMMETRY=NONE)

*SIP
MAXMEM=900
TIMERS=YES


Michael