Unverified Commit 3183af9b authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

fix a few more initialization issues in pppm/disp and pppm/disp/intel

parent 2855f043

src/KSPACE/pppm_disp.cpp

+1 −1
Original line number Diff line number Diff line
@@ -214,7 +214,7 @@ PPPMDisp::PPPMDisp(LAMMPS *lmp) : KSpace(lmp), 
  gc_buf1 = gc_buf2 = NULL;

  gc6_buf1 = gc6_buf2 = NULL;

  ngc_buf1 = ngc_buf2 = ngc6_buf1 = ngc6_buf2 = 0;

  npergrid = npergrid6 = 0;

  ngrid = ngrid_6 = npergrid = npergrid6 = 0;



  nmax = 0;

  part2grid = NULL;

src/USER-INTEL/pppm_disp_intel.cpp

+2 −1
Original line number Diff line number Diff line
@@ -131,9 +131,10 @@ void PPPMDispIntel::init() 
  // For vectorization, we need some padding in the end

  // The first thread computes on the global density

  if ((comm->nthreads > 1) && !_use_lrt) {

    int mygrid = MAX(ngrid,ngrid_6);

    memory->destroy(perthread_density);

    memory->create(perthread_density, comm->nthreads-1,

                   ngrid + INTEL_P3M_ALIGNED_MAXORDER,

                   mygrid + INTEL_P3M_ALIGNED_MAXORDER,

                   "pppmdispintel:perthread_density");

  }

src/USER-INTEL/pppm_disp_intel.h

+0 −3
Original line number Diff line number Diff line
@@ -70,8 +70,6 @@ namespace LAMMPS_NS { 
    FFT_SCALAR *particle_eky6;

    FFT_SCALAR *particle_ekz6;







    int _use_table;

    int rho_points;

    FFT_SCALAR **rho_lookup;
@@ -82,7 +80,6 @@ namespace LAMMPS_NS { 


    int _use_packing;





    #ifdef _LMP_INTEL_OFFLOAD

    int _use_base;

    #endif

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