I am getting this error in ABINIT 8.0

--- !ERROR

src_file: m_paw_dmft.F90

src_line: 366

mpi_rank: 21

message: |

Someone changed the k-point parallelism again

This is for a regular NSCF calculation with psp8 pseudos, so this is nothing to do with PAW or dmft, but this is not present using ABINIT 7.0

So it seems someone changed the k-point parallelism?

## error in m_paw_dmft

**Moderators:** jbeuken, jzwanzig, gonze

### Re: error in m_paw_dmft

I can confirm this bug, which mostly prevents using abinit with mpi...

### Re: error in m_paw_dmft

Can you post a complete input file which reproduce the error ?

Thanks

Best regards

Bernard Amadon

PS: Could you give your affiliation, thanks

Thanks

Best regards

Bernard Amadon

PS: Could you give your affiliation, thanks

Bernard Amadon

CEA

France

CEA

France

### Re: error in m_paw_dmft

Hi Bernard, thank you for quick reply.

Your answer (below) solved the problem.

Bests

eef

****

Indeed on 64 procs, the code use only 54 procs because it is sufficient for the optimal

parallelism.

(grep nproc logfile).

The bug appears because 64 is different from 54 (I will correct it in the next version).

For the moment, you just have to use 54 procs, and it should work !

So more generally, the workaround is to launch

mpiexec -n NPROC abinit < files > log

then do

grep nproc log

it gives you the nproc actually used.

Then relaunch

mpiexec -n nproc abinit < files > log

*****

Your answer (below) solved the problem.

Bests

eef

****

Indeed on 64 procs, the code use only 54 procs because it is sufficient for the optimal

parallelism.

(grep nproc logfile).

The bug appears because 64 is different from 54 (I will correct it in the next version).

For the moment, you just have to use 54 procs, and it should work !

So more generally, the workaround is to launch

mpiexec -n NPROC abinit < files > log

then do

grep nproc log

it gives you the nproc actually used.

Then relaunch

mpiexec -n nproc abinit < files > log

*****

### Re: error in m_paw_dmft

Hi Fileti and Bernard, thanks for the workaround! I just found the same problem today and the solution is working for me too...