Rearranged the order of real-space and kspace part of ufield0c(), delayed device-host transfer from umutual2b() to overlap with kspace part

2022-07-08 14:45:31 -05:00
parent 78d6df5ba9
commit 0c44bd1086
9 changed files with 161 additions and 6 deletions
--- a/lib/gpu/lal_amoeba_ext.cpp
+++ b/lib/gpu/lal_amoeba_ext.cpp
@ -148,6 +148,10 @@ void amoeba_gpu_compute_umutual2b(int *host_amtype, int *host_amgroup, double **
                             aewald, off2, fieldp_ptr);
 }

+void amoeba_gpu_update_fieldp(void **fieldp_ptr) {
+  AMOEBAMF.update_fieldp(fieldp_ptr);
+}
+
 void amoeba_gpu_compute_polar_real(int *host_amtype, int *host_amgroup, double **host_rpole,
                                    double **host_uind, double **host_uinp,
                                    const bool eflag_in, const bool vflag_in,