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Merge branch 'amoeba' into amoeba-gpu

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This commit is contained in:
Trung Nguyen
2022-04-22 16:10:24 -05:00
parent 81bf2eb9b2 a88efcbbda
commit 531e553162
4933 changed files with 388163 additions and 506968 deletions
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18
lib/gpu/lal_base_atomic.cpp
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@ -21,7 +21,7 @@ namespace LAMMPS_AL {
extern Device<PRECISION,ACC_PRECISION> global_device;
template <class numtyp, class acctyp>
BaseAtomicT::BaseAtomic() : _compiled(false), _max_bytes(0), _onetype(0) {
BaseAtomicT::BaseAtomic() : _compiled(false), _onetype(0), _max_bytes(0) {
device=&global_device;
ans=new Answer<numtyp,acctyp>();
nbor=new Neighbor();
@ -241,14 +241,14 @@ void BaseAtomicT::compute(const int f_ago, const int inum_full,
// Reneighbor on GPU if necessary and then compute forces, virials, energies
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
int ** BaseAtomicT::compute(const int ago, const int inum_full,
const int nall, double **host_x, int *host_type,
double *sublo, double *subhi, tagint *tag,
int **nspecial, tagint **special,
const bool eflag_in, const bool vflag_in,
const bool eatom, const bool vatom,
int &host_start, int **ilist, int **jnum,
const double cpu_time, bool &success) {
int **BaseAtomicT::compute(const int ago, const int inum_full,
const int nall, double **host_x, int *host_type,
double *sublo, double *subhi, tagint *tag,
int **nspecial, tagint **special,
const bool eflag_in, const bool vflag_in,
const bool eatom, const bool vatom,
int &host_start, int **ilist, int **jnum,
const double cpu_time, bool &success) {
acc_timers();
int eflag, vflag;
if (eatom) eflag=2;