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Only transfer data that is needed for umutual2b; allowed convolution and kspace term umutual1 to be overridden by the gpu counterparts

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Trung Nguyen
2022-08-10 16:21:30 -05:00
parent aad4e417f9
commit 538aa13693
3 changed files with 6 additions and 5 deletions
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3
lib/gpu/lal_base_amoeba.cpp
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@ -518,7 +518,8 @@ void BaseAmoebaT::compute_umutual2b(int *host_amtype, int *host_amgroup, double
void** fieldp_ptr) { void** fieldp_ptr) {
// all the necessary data arrays are already copied from host to device // all the necessary data arrays are already copied from host to device
cast_extra_data(host_amtype, host_amgroup, host_rpole, host_uind, host_uinp, host_pval); //cast_extra_data(host_amtype, host_amgroup, host_rpole, host_uind, host_uinp, host_pval);
cast_extra_data(host_amtype, host_amgroup, nullptr, host_uind, host_uinp, nullptr);
atom->add_extra_data(); atom->add_extra_data();
_off2_polar = off2_polar; _off2_polar = off2_polar;

6
src/AMOEBA/amoeba_convolution.h
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@ -47,7 +47,7 @@ class AmoebaConvolution : protected Pointers {
FFT_SCALAR *pre_convolution(); FFT_SCALAR *pre_convolution();
void *post_convolution(); void *post_convolution();
private: protected:
int which; // caller name for convolution being performed int which; // caller name for convolution being performed
int flag3d; // 1 if using 3d grid_brick, 0 for 4d cgrid_brick int flag3d; // 1 if using 3d grid_brick, 0 for 4d cgrid_brick
int nbrick_owned; // owned grid points in brick decomp int nbrick_owned; // owned grid points in brick decomp
@ -71,9 +71,9 @@ class AmoebaConvolution : protected Pointers {
void *zero_3d(); void *zero_3d();
void *zero_4d(); void *zero_4d();
FFT_SCALAR *pre_convolution_3d(); FFT_SCALAR *pre_convolution_3d();
FFT_SCALAR *pre_convolution_4d(); virtual FFT_SCALAR *pre_convolution_4d();
void *post_convolution_3d(); void *post_convolution_3d();
void *post_convolution_4d(); virtual void *post_convolution_4d();
void kspacebbox(double, double *); void kspacebbox(double, double *);
void procs2grid2d(int, int, int, int &, int &); void procs2grid2d(int, int, int, int &, int &);

2
src/AMOEBA/pair_amoeba.h
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@ -381,7 +381,7 @@ class PairAmoeba : public Pair {
void ufield0c(double **, double **); void ufield0c(double **, double **);
void uscale0b(int, double **, double **, double **, double **); void uscale0b(int, double **, double **, double **, double **);
void dfield0c(double **, double **); void dfield0c(double **, double **);
void umutual1(double **, double **); virtual void umutual1(double **, double **);
virtual void umutual2b(double **, double **); virtual void umutual2b(double **, double **);
void udirect1(double **); void udirect1(double **);
virtual void udirect2b(double **, double **); virtual void udirect2b(double **, double **);