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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_atom.cpp
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@ -109,17 +109,17 @@ bool AtomT::alloc(const int nall) {
gpu_bytes+=x_cast.device.row_bytes()+type_cast.device.row_bytes();
#endif
if (_charge && _host_view==false) {
if (_charge && !_host_view) {
success=success && (q.alloc(_max_atoms,*dev,UCL_WRITE_ONLY,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=q.device.row_bytes();
}
if (_rot && _host_view==false) {
if (_rot && !_host_view) {
success=success && (quat.alloc(_max_atoms*4,*dev,UCL_WRITE_ONLY,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=quat.device.row_bytes();
}
if (_vel && _host_view==false) {
if (_vel && !_host_view) {
success=success && (v.alloc(_max_atoms*4,*dev,UCL_WRITE_ONLY,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=v.device.row_bytes();
@ -169,30 +169,30 @@ bool AtomT::add_fields(const bool charge, const bool rot,
// Ignore host/device transfers?
int gpu_bytes=0;
if (charge && _charge==false) {
if (charge && !_charge) {
_charge=true;
_other=true;
if (_host_view==false) {
if (!_host_view) {
success=success && (q.alloc(_max_atoms,*dev,UCL_WRITE_ONLY,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=q.device.row_bytes();
}
}
if (rot && _rot==false) {
if (rot && !_rot) {
_rot=true;
_other=true;
if (_host_view==false) {
if (!_host_view) {
success=success && (quat.alloc(_max_atoms*4,*dev,UCL_WRITE_ONLY,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=quat.device.row_bytes();
}
}
if (vel && _vel==false) {
if (vel && !_vel) {
_vel=true;
_other=true;
if (_host_view==false) {
if (!_host_view) {
success=success && (v.alloc(_max_atoms*4,*dev,UCL_WRITE_ONLY,
UCL_READ_ONLY)==UCL_SUCCESS);
gpu_bytes+=v.device.row_bytes();