[molpro-user] incomplete printout in the output file
lydia
theochemly at gmail.com
Fri Oct 22 20:40:26 BST 2010
Dear all,
I recently have a strange question. For a job of calculating
frequencies, the total number of displacements are 27. From the log
file, it shows all the 27 dispalcement calcualtions have been finished
after 9-day running. So the job was done. However, at the end of the
out file, it shows
"20 tasks completed, CPU=489492.71 sec, Elapsed=547101.91 sec
Energy contribution and norm by symmetry for space S0
ISymA= 1 -0.02631 0.00896
Energy contribution and norm by symmetry for space S0
ISymA= 1 -0.02631 0.00896
Energy contribution and norm by symmetry for space S0
ISymA= 1 -0.02631 0.00896
"
That is all !!! No information about the frequencies are printed.
Do you have the similar problem that not all the results are printed
in the out file even the job was done? How to deal with it?
Thanks,
All the best,
yang
More information about the Molpro-user
mailing list