CCL: Error encountered in CASSCF calculations using ORCA 5.0.3



 Sent to CCL by: "Nikunj  Kumar" [nkk749.:.gmail.com]
 Hello everyone,
 I am writing to seek assistance regarding an error encountered during a
 CASSCF calculation using ORCA 5.0.3. While running the calculation, I
 encountered a termination error within the macro-iteration process. The job
 was terminated, and the following message was displayed:
 MACRO-ITERATION  31:
    --- Inactive Energy E0 = -1900.47083503 Eh
 CI-ITERATION   0:
  -1925.350637453   0.049925438243 (    0.04)
 CI-ITERATION   1:
  -1925.365775831   0.009246792272 (    0.04)
 CI-ITERATION   2:
  -1925.368170826   0.000898901231 (    0.04)
 CI-ITERATION   3:
  -1925.368431601   0.000092503709 (    0.03)
 Failed to update matrix
 ORCA finished by error termination in CASSCF
 mpirun detected that one or more processes exited with non-zero status, thus
 causing
 the job to be terminated. The first process to do so was:
   Process name: [[33264,1],33]
   Exit code:    64
 [file orca_tools/qcmsg.cpp, line 465]:
   .... aborting the run
 -------------------------------------------------------------------------
 I would greatly appreciate any assistance or guidance on how to address this
 error. To provide further context, I have included the relevant portion of
 the input file below:.
 -------------------------------------------------------------------------
 %pal
    nprocs 40
 end
 %maxcore 20000
 %casscf nel 10
         norb 10
         mult 3
         nroots 1
         TrafoStep RI
         maxiter 300
         orbstep superci
         switchstep diis
         ci
         NGuessMat 10000
         maxiter 300
         end
 end