Tutorial base1

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qwin
Posts: 5
Joined: Wed Sep 16, 2020 10:29 am
Location: Switzerland

Tutorial base1

Post by qwin » Thu Sep 17, 2020 1:22 pm

Hello
I started today with abinit and the tutorial example base 1. If I understood it correctly, I have to built first the folder tree. In the directory ~/.abinit/tests/tutorial/Input i have to build a file named tbase1_x.files with the input

../tbase1_1.in
tbase1_x.out
tbase1_xi
tbase1_xo
tbase1_x
../../../Psps_for_tests/01h.pspgth


and in the directory ~/.abinit/tests/tutorial/Input/Work the file has the content

tbase1_1.in
tbase1_1.out
tbase1_xi
tbase1_xo
tbase1_x
../../../Psps_for_tests/01h.pspgth


Now I run the code with

abinit < tbase1_x.files > log 2> err &

But I do not get the expected output. I get first the error Exit 13 and afterwards in the standard error file err it is written:


application called MPI_Abort(MPI_COMM_WORLD, 13) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=13
:
system msg for write_line failure : Bad file descriptor
--- !ERROR
src_file: m_invars1.F90
src_line: 313
mpi_rank: 0
message: |
Input natom must be defined, but was absent for dataset 0
Action: check the input file.



can somebody help me?
Thank you

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gmatteo
Posts: 291
Joined: Sun Aug 16, 2009 5:40 pm

Re: Tutorial base1

Post by gmatteo » Tue Sep 22, 2020 11:33 pm

Well, the error message is pretty self-explanatory:
Input natom must be defined, but was absent for dataset 0
Action: check the input file.
so the question is "did you check your input file?".

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