I get the following runtime error while doing a geometry optimization with CCSD(T)/aug-ccpwCVTZ, immediately after the DF-CCSDL iterations, while trying to compute 3-index intermediates:
RuntimeError:
Fatal Error: PSIO Error
Error occurred in file: /scratch/psilocaluser/conda-builds/psi4_1506620042465/work/psi4/src/psi4/libpsio/error.cc on line: 129
The most recent 5 function calls were:
psi::psio_error(unsigned long, unsigned long)
psi::PSIO::rw(unsigned long, char*, psi::psio_address, unsigned long, int)
psi::PSIO::write_entry(unsigned long, char const*, char*, unsigned long)
psi::dfoccwave::Tensor2d::write(std::shared_ptrpsi::PSIO, unsigned long)
What is the reason?