Fwd: initial condition generation: gaussian.log reading error

[Jayashree Nagesh]

Hello,

I am using NX-2.4_B06 and the pre-compiled binaries in the $NX/bin directory. There seems to be a problem in generating initial conditions using G16. The test run IC-GAU-TDDFT runs fine. However, a similar setup gives the following error in DEBUG/runnex.error:

At line 107 of file readgaussian.f90 (unit = 11, file = 'gaussian.log')
Fortran runtime error: Bad real number in item 4 of list input

Error termination. Backtrace:
#0  0x40ffea
#1  0x410259
#2  0x410f2f
#3  0x42d3b3
#4  0x42e81c
#5  0x42f489
#6  0x41525b
#7  0x40eb11
#8  0x4091c3
#9  0x409dec
#10  0x44ae3f
#11  0x401e7d

I see that this points to the lines where the atoms, their atomic numbers and cartesian components of each normal mode are being read. I am not sure however why this case does not work when the test case works fine. I have attached a zip file of the directory containing the necessary files.

Thanks for any help,

Jayashree