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Re: [lammps-users] Cannot open file data.
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Re: [lammps-users] Cannot open file data.


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 18 Jul 2017 14:38:38 -0400

On Tue, Jul 18, 2017 at 2:32 PM, Ana Cristina Ramírez
<cristinaramz@...8...> wrote:
> Hello all.
>
>
> I am running a interface tension calculation of an ionic liquid and water
> with MPI on lammps (31 March 2017) in the nvt build. The package works fine
> with every other simulation however this one generates the following
> problem:
>
>
> LAMMPS (31 Mar 2017)
> Reading data file ...
> ERROR on proc 0: Cannot open file data.BMIMBrC1 (../read_data.cpp:1876)
> --------------------------------------------------------------------------
> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
> with errorcode 1.
>
> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
> You may or may not see output from other processes, depending on
> exactly when Open MPI kills them.
> --------------------------------------------------------------------------
>
>
> We had run this in two different machines with different OS distros (Arch
> and Mint) both with the same compilers and lammps versions.

yes, but are the files all there, too? and with the exact same name?
also double check your input file, sometimes typos happen because of
people typing into the wrong window and don't notice when saving.

to test the 31 Mar 2017 executable, please try out some of the inputs
in the examples folder that use data files.
it is *extremely* unlikely these days, that there is a released LAMMPS
version with a defect that would inhibit reading a (correct and
present) data file, since the distribution is subject to significant
regression testing and reading all kinds of data files in different
styles is part of the test suite.

axel.


>
>
> Thanks in advance for your help for this desperate soul in need.
>
>
>
>
>
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-- 
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.