[molpro-user] Segmentation fault in Frequencies
shachar.klaiman at pci.uni-heidelberg.de
Wed Nov 20 08:04:33 GMT 2013
Dear Molpro developers and users,
I am trying to run a frequencies calculation but it seems to segment fault.
I updated to patch 7 and still the same problem. I am using ifort 13.1.3,
gcc and intel mpi 126.96.36.199 . All the test passed except one
- df_casscf_ecp.test, but this test never passes for me before.
The input is essentially :
The program crashes after writing the new coordinates to the log file.
Has anyone encountered a similar behavior?
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