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OUTCAR

32 cores / 72 GB RAM, 2xA100

jovyan@jupyter-dvu-40csusb-2eedu:~/270isif3-test$ mpirun -np 2 vasp-std
--------------------------------------------------------------------------
[[35130,1],1]: A high-performance Open MPI point-to-point messaging module
was unable to find any relevant network interfaces:

Module: OpenFabrics (openib)
Host: jupyter-dvu-40csusb-2eedu

Another transport will be used instead, although this may result in
lower performance.

NOTE: You can disable this warning by setting the MCA parameter
btl_base_warn_component_unused to 0.
--------------------------------------------------------------------------
running 2 mpi-ranks, with 2 threads/rank, on 1 nodes
distrk: each k-point on 2 cores, 1 groups
distr: one band on 1 cores, 2 groups
OpenACC runtime initialized ... 2 GPUs detected
[jupyter-dvu-40csusb-2eedu:00133] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics
[jupyter-dvu-40csusb-2eedu:00133] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
vasp.6.4.1 05Apr23 (build Apr 30 2023 05:09:20) complex
POSCAR found type information on POSCAR CoO N H C
POSCAR found : 5 types and 1184 ions
scaLAPACK will be used selectively (only on CPU)
LDA part: xc-table for Pade appr. of Perdew
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| One of the lattice vectors is very long (>50 A), but AMIN is rather |
| large. This can spoil convergence since charge sloshing might occur |
| along the long lattice vector. If problems with convergence are |
| observed, try to decrease AMIN to a smaller value (e.g. 0.01). |
| Note: This warning only applies if the self-consistency cycle is |
| used. |
| |
-----------------------------------------------------------------------------

POSCAR, INCAR and KPOINTS ok, starting setup
-----------------------------------------------------------------------------
| |
| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| ACC_CUFFT_MAKEPLAN: could not create plan |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------

Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
1
Warning: ieee_invalid is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
1
--------------------------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

Process name: [[35130,1],1]
Exit code: 1

Hi,

You need to provide also the POSCAR file, otherwise we can not try to reproduce the problem.

Hello,

Do we have the option to hide the posting and provided data such as attachments from public view ?

thank you very much

You can send the POSCAR file to support@vasp.at