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 -- To UNSUBSCRIBE, email to [email protected] with a subject of "unsubscribe". Trouble? Contact [email protected]
