about OMP and TAD

Dear Axel and lammps users,

I was running TAD without any problems and this week I installed on two lammps-11Aug17 computers with the user-omp package. On those two computers, things are strange and I can not even run “in.tad” in the examples folder. The program does not stop, but nothing really happens. Is there any reason for this?

Fernanda S Teixeira

Dear Axel and lammps users,

I was running TAD without any problems and this week I installed on two
lammps-11Aug17 computers with the user-omp package. On those two computers,
things are strange and I can not even run "in.tad" in the examples folder.
The program does not stop, but nothing really happens. Is there any reason
for this?

​does this also happen, after you uninstall the USER-OMP package?

axel.​

Hi Axel,

No, this does not happen.
Well, I think I do not need OMP package at all, but I would like to understand what the problem is.

Fernanda.

Hi Axel,

   No, this does not happen.
   Well, I think I do not need OMP package at all, but I would like to
understand what the problem is.

​then you have to start debugging. i would like to know that, too.

axel.​

i just ran a test with the current LAMMPS development version without USER-OMP installed (and without OpenMP enabled) and it fails the TAD input example with MPI errors, too. so it looks to me, that USER-OMP is not to blame here, but that there are some stray MPI messages causing trouble.

axel.

]$ mpirun -np 3 ~/compile/lammps-icms/src/lmp_mpi -p 3x1 -in in.tad
LAMMPS (22 Sep 2017)
Running on 3 partitions of processors
Setting up TAD …
Step CPU N M Status Barrier Margin t_lo delt_lo
1000 0.000 0 0 E 0.000 0.000 0.000 0.000
Fatal error in PMPI_Allgather: Message truncated, error stack:
PMPI_Allgather(1000)…: MPI_Allgather(sbuf=0x7ffe97b3bd10, scount=1, MPI_DOUBLE, rbuf=0x3670450, rcount=1, MPI_DOUBLE, comm=0x84000005) failed
MPIR_Allgather_impl(840)…:
MPIR_Allgather(799)…:
MPIR_Allgather_intra(534)…:
MPIDI_CH3U_Receive_data_found(131): Message from rank 1 and tag 7 truncated; 32 bytes received but buffer size is 8
MPIR_Allgather_intra(557)…:
MPIDI_CH3U_Receive_data_found(131): Message from rank 2 and tag 7 truncated; 32 bytes received but buffer size is 8
Fatal error in PMPI_Allgather: Other MPI error, error stack:
PMPI_Allgather(1000)…: MPI_Allgather(sbuf=0x7ffec97d9240, scount=4, MPI_DOUBLE, rbuf=0x398bb00, rcount=4, MPI_DOUBLE, comm=0x84000003) failed
MPIR_Allgather_impl(840).:
MPIR_Allgather(799)…:
MPIR_Allgather_intra(634): Failure during collective

Hi Axel,

In my computer, the process gets stuck in the middle of TAD, but I got no error messages.

Fernanda