[molpro-user] What is the memory needed in the QCISD(T)/cc-pVTZ calculations?

czhouscu cwzhou2008 at gmail.com
Tue Jul 2 18:18:10 BST 2013

Dear MOLPRO users,

I am currently calculate the single point energy of C5O3H11 at
QCISD(T)/cc-pVTZ level of theory. For the input file I use "memory, 1200,
m" to set the memory, while the job just crushed without error at the end
of the output file. There is one file indicating the reason of the job
finished. Here it is:

[stoney12:mpispawn_0][readline] Unexpected End-Of-File on file descriptor
9. MPI process died?
[stoney12:mpispawn_0][mtpmi_processops] Error while reading PMI socket. MPI
process died?
[stoney12:mpirun_rsh][process_mpispawn_connection] mpispawn_0 from node
stoney12 aborted: Error while reading a PMI socket (4)

Does anyone have faced such problem?

Thank you!

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