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Fixed bugs in the polar real kernel in hippo, getting closer..

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This commit is contained in:
Trung Nguyen
2021-09-26 09:11:09 -05:00
parent 5193dcf8c5
commit 7437c98628
5 changed files with 169 additions and 117 deletions
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4
lib/gpu/lal_hippo_ext.cpp
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@ -194,7 +194,7 @@ int** hippo_gpu_compute_polar_real(const int ago, const int inum_full,
const int nall, double **host_x, int *host_type,
int *host_amtype, int *host_amgroup,
double **host_rpole, double **host_uind, double **host_uinp,
double *sublo, double *subhi, tagint *tag, int **nspecial,
double *host_pval, double *sublo, double *subhi, tagint *tag, int **nspecial,
tagint **special, int *nspecial15, tagint** special15,
const bool eflag, const bool vflag, const bool eatom,
const bool vatom, int &host_start,
@ -202,7 +202,7 @@ int** hippo_gpu_compute_polar_real(const int ago, const int inum_full,
bool &success, const double aewald, const double felec, const double off2,
double *host_q, double *boxlo, double *prd, void **tep_ptr) {
return HIPPOMF.compute_polar_real(ago, inum_full, nall, host_x, host_type,
host_amtype, host_amgroup, host_rpole, host_uind, host_uinp,
host_amtype, host_amgroup, host_rpole, host_uind, host_uinp, host_pval,
sublo, subhi, tag, nspecial, special, nspecial15, special15,
eflag, vflag, eatom, vatom, host_start, ilist, jnum,
cpu_time, success, aewald, felec, off2, host_q, boxlo, prd, tep_ptr);