Dear Sir/Madam at Abinit Group,
I hope this message finds you well.
I am a MSC student at the University of Duhok (UoD)/College of Science/Physics Department. I am a newbie in using Abinit. I have successfully run some of the tutorials on the Abinit website. But unfortunately I have the following error messages from running the Optical tutorials. It is worth mentioning that I use V8 and V9 of the software and I got the same errors and this is somehow not funny. So, it would be appreciated if you could please advise accordingly. I have also attached the necessary files for your convenience.
So, when I run the package, I got a reasonable file âtoptic_1o_DS3_WFKâ , âtoptic_1o_DS4_1WF16â , âtoptic_1o_DS5_1WF17â and âtoptic_1o_DS6_1WF18â after executing âabinit toptic_1.abi > log 2> errâ, but I encountered an unreasonable error when executing âoptic toptic_2.abi > log 2> err &â as follows:
â !ERROR
src_file: m_invars1.F90
src_line: 324
mpi_rank: 0
message: |
Input natom must be defined, but was absent for dataset 0
Action: check the input file.
âŚ
abinit_abort: decision taken to exit. Check above messages for more info
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 14.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
inputfiles of toptic_1.abi and toptic_2.abi
I look forward to hearing from you in the near future. Many thanks for your time and kind help.