Dear All
I have recently updated Materials studio 2016 to my windows machine. We have a licence for CASTEP and ONETEP as well. It works absolutely ok with CASTEP using single core along with parallel calculations but with ONETEP, It does not work for even a single machine. Please update me what to do. here i have copied the warning .............
Thanks
Faruq
Job started: 27-04-2016 10:41 (+0100)
License checkout of MS_onetep successful
Reading parameters from file "Al.dat" ...... done
Checking processes and threads...
Running with 2 MPI processes.
There are 2 MPI processes running on the same node as the root process.
This binary does not support OpenMP threading.
... done
''''''''''''''''''''''''
ONETEP terminated abnormally due to the following error:
Error in parallel_strategy_list_overlaps: spheres exceed cell size.
... detected on MPI rank #0.
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
ONETEP execution aborted
Checked out license feature: MS_onetep [for 4804:219863:2:THE UNIVERSITY OF BOLTON] (1 copy)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
I have recently updated Materials studio 2016 to my windows machine. We have a licence for CASTEP and ONETEP as well. It works absolutely ok with CASTEP using single core along with parallel calculations but with ONETEP, It does not work for even a single machine. Please update me what to do. here i have copied the warning .............
Thanks
Faruq
Job started: 27-04-2016 10:41 (+0100)
License checkout of MS_onetep successful
Reading parameters from file "Al.dat" ...... done
Checking processes and threads...
Running with 2 MPI processes.
There are 2 MPI processes running on the same node as the root process.
This binary does not support OpenMP threading.
... done
''''''''''''''''''''''''
ONETEP terminated abnormally due to the following error:
Error in parallel_strategy_list_overlaps: spheres exceed cell size.
... detected on MPI rank #0.
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
ONETEP execution aborted
Checked out license feature: MS_onetep
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0