[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 . 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?

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20131120/f2389adb/attachment.html>

More information about the Molpro-user mailing list