CCD analytical gradient calculation failed
Dear Dalton developers,
I've performed a CCD/cc-pVTZ analytical gradient calculation for a water molecule, and find the following error
0: Directories for basis set searches:
/public/home/jxzou/dalton_ccd_force:/public/home/jxzou/software/dalton/basis
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
dalton.x 00000000027E182A Unknown Unknown Unknown
libpthread-2.17.s 00002B84D0E266D0 Unknown Unknown Unknown
dalton.x 00000000028CA65A Unknown Unknown Unknown
dalton.x 000000000120E39A Unknown Unknown Unknown
dalton.x 0000000001B31E92 Unknown Unknown Unknown
dalton.x 0000000000A6E7AC Unknown Unknown Unknown
dalton.x 00000000009AA68D Unknown Unknown Unknown
dalton.x 00000000004170A1 Unknown Unknown Unknown
dalton.x 0000000000414131 Unknown Unknown Unknown
dalton.x 000000000040AEBC Unknown Unknown Unknown
dalton.x 000000000040A122 Unknown Unknown Unknown
libc-2.17.so 00002B84D1055445 __libc_start_main Unknown Unknown
dalton.x 000000000040A029 Unknown Unknown Unknown
SERIOUS ERROR:
/public/home/jxzou/software/dalton/dalton.x finished with non-zero exit code: 174
And the output stops at
*******************************************************************
* *
*-------- OUTPUT FROM COUPLED CLUSTER GRADIENT SECTION ---------*
* *
*******************************************************************
The same input file works normally for CCSD and CCSD(T) analytical gradient calculations. Dalton 2020.1 is used. Here are the .dal/.mol filesh2o_rhf_CC.tar.gz
Would you please tell me whether I need more keywords, or this is just a bug? Thank you!