[molpro-user] Segmentation fault in Frequencies

Shachar Klaiman 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 4.1.1.36 . All the test passed except one
- df_casscf_ecp.test, but this test never passes for me before.

The input is essentially :

hf;
frequencies,analytical

The program crashes after writing the new coordinates to the log file.

Has anyone encountered a similar behavior?

Best,
Shachar
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