Unverified Commit 67b17470 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer Committed by GitHub
Browse files

Merge pull request #1744 from akohlmey/collected-small-fixes 

Collected small fixes for next patch release
parents b6313621 fe5d62c8

doc/src/Errors_warnings.txt

+5 −0
Original line number Diff line number Diff line
@@ -390,6 +390,11 @@ have fully consistent image flags, since some bonds will cross 
periodic boundaries and connect two atoms with the same image

flag. :dd



{Increasing communication cutoff for GPU style} :dt



The pair style has increased the communication cutoff to be consistent with

the communication cutoff requirements for this pair style when run on the GPU. :dd



{KIM Model does not provide 'energy'; Potential energy will be zero} :dt



Self-explanatory. :dd

python/lammps.py

+2 −2
Original line number Diff line number Diff line
@@ -394,9 +394,9 @@ class lammps(object): 
        self.lib.lammps_extract_compute.restype = POINTER(c_double)

        ptr = self.lib.lammps_extract_compute(self.lmp,id,style,type)

        return ptr[0]

      else if style == 1:

      elif style == 1:

        return None

      else if style == 2:

      elif style == 2:

        self.lib.lammps_extract_compute.restype = POINTER(c_int)

        return ptr[0]

    if type == 1:

src/GPU/gpu_extra.h

+5 −0
Original line number Diff line number Diff line
@@ -133,4 +133,9 @@ E: Unknown error in GPU library 


Self-explanatory.



W: Increasing communication cutoff for GPU style



The pair style has increased the communication cutoff to be consistent with

the communication cutoff requirements for this pair style when run on the GPU.



*/

src/GPU/pair_sw_gpu.cpp

+4 −1
Original line number Diff line number Diff line
@@ -206,8 +206,11 @@ void PairSWGPU::init_style() 
    neighbor->requests[irequest]->ghost = 1;

  }



  if (comm->cutghostuser < (2.0*cutmax + neighbor->skin) )

  if (comm->cutghostuser < (2.0*cutmax + neighbor->skin)) {

    comm->cutghostuser=2.0*cutmax + neighbor->skin;

    if (comm->me == 0)

       error->warning(FLERR,"Increasing communication cutoff for GPU style");

  }

}



/* ----------------------------------------------------------------------

src/GPU/pair_tersoff_gpu.cpp

+4 −1
Original line number Diff line number Diff line
@@ -240,8 +240,11 @@ void PairTersoffGPU::init_style() 
    neighbor->requests[irequest]->ghost = 1;

  }



  if (comm->cutghostuser < (2.0*cutmax + neighbor->skin) )

  if (comm->cutghostuser < (2.0*cutmax + neighbor->skin)) {

    comm->cutghostuser = 2.0*cutmax + neighbor->skin;

    if (comm->me == 0)

       error->warning(FLERR,"Increasing communication cutoff for GPU style");

  }

}



/* ----------------------------------------------------------------------

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