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Re: [lammps-users] about OMP and TAD
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Re: [lammps-users] about OMP and TAD

From: Fernanda S Teixeira <nandast@...6816...>
Date: Mon, 09 Oct 2017 17:50:11 -0300

Hi Axel,

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


Em Seg, 2017-10-09 às 16:16 -0400, Axel Kohlmeyer escreveu:
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.


]$ 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
MPIDI_CH3U_Receive_data_found(131): Message from rank 1 and tag 7 truncated; 32 bytes received but buffer size is 8
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_intra(634): Failure during collective

On Mon, Oct 9, 2017 at 3:59 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:

On Mon, Oct 9, 2017 at 3:51 PM, Fernanda S Teixeira <nandast@...6816...> wrote:
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.




Em Seg, 2017-10-09 às 15:49 -0400, Axel Kohlmeyer escreveu:

On Mon, Oct 9, 2017 at 3:21 PM, Fernanda S Teixeira <nandast@...6816...> wrote:
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?



Fernanda S Teixeira

Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

Dra. Fernanda de Sá Teixeira
Especialista em Laboratório
Laboratório de Filmes Finos
Instituto de Física da USP
Fone/Fax: 11 3091 6625 / 11 3091 7140