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Message: SCF not converging. Choose "Use Smearing" on DMol3 SCF panel
or set "Occupation  Thermal" in the input file.
You may also need to change spin or use symmetry.
Resubmit DMol3.
Message: DMol3 job failed
Error: DMol3 exiting
warning: MPI_ROOT /usr/people/MSI/MaterialsStudio/hpmpi/opt/hpmpi/ != mpirun path /usr/people/MSI/MaterialsStudio/hpmpi/opt/hpmpi
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 0 pid 21029 on host node4 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 1 pid 21030 on host node4 to cpu 1
HP-MPI licensed for Accelrys.
Host 0 -- ip 192.168.1.21 -- ranks 0 - 1

host | 0
======|======
    0 : SHM

Checked out license feature: MS_dmol [for Unavailable] (1 copy)

Checked out license feature: MS_dsolid [for Unavailable] (1 copy)


Message: License checkin of MS_dmol successful
MPI Application rank 0 exited before MPI_Finalize() with status 200
Signal Caught:           15

Message: License checkin of MS_dmol successful
/bin/rm: cannot remove directory `/tmp/d21030': No such file or directory

[ Last edited by zzgyb on 2008-10-28 at 17:42 ]
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