Skip to content

Replacing long int type with int64_t #3739

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
njzjz merged 4 commits into from
May 5, 2024
Merged

Replacing long int type with int64_t #3739

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
4 commits
Select commit Hold shift + click to select a range
2bbc1aa
Replacing long int type with int64_t
chazeon May 4, 2024
2666173
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] May 4, 2024
a16becc
Explicitly including <cstdint> and formatting
chazeon May 5, 2024
de5ff49
Fix comm.cc to include missing header file
chazeon May 5, 2024
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
28 changes: 17 additions & 11 deletions source/api_cc/src/DeepPotPT.cc
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -2,9 +2,13 @@
#ifdef BUILD_PYTORCH
#include "DeepPotPT.h"

#include <cstdint>

#include "common.h"
#include "device.h"

using namespace deepmd;

torch::Tensor createNlistTensor(const std::vector<std::vector<int>>& data) {
std::vector<torch::Tensor> row_tensors;

Expand Down Expand Up @@ -155,7 +159,7 @@ void DeepPotPT::compute(ENERGYVTYPE& ener,
at::Tensor coord_wrapped_Tensor =
torch::from_blob(coord_wrapped.data(), {1, nall_real, 3}, options)
.to(device);
std::vector<int64_t> atype_64(datype.begin(), datype.end());
std::vector<std::int64_t> atype_64(datype.begin(), datype.end());
at::Tensor atype_Tensor =
torch::from_blob(atype_64.data(), {1, nall_real}, int_option).to(device);
if (ago == 0) {
Expand Down Expand Up @@ -199,17 +203,18 @@ void DeepPotPT::compute(ENERGYVTYPE& ener,
if (!fparam.empty()) {
fparam_tensor =
torch::from_blob(const_cast<VALUETYPE*>(fparam.data()),
{1, static_cast<long int>(fparam.size())}, options)
{1, static_cast<std::int64_t>(fparam.size())}, options)
.to(device);
}
c10::optional<torch::Tensor> aparam_tensor;
if (!aparam_.empty()) {
aparam_tensor = torch::from_blob(
const_cast<VALUETYPE*>(aparam_.data()),
{1, lmp_list.inum,
static_cast<long int>(aparam_.size()) / lmp_list.inum},
options)
.to(device);
aparam_tensor =
torch::from_blob(
const_cast<VALUETYPE*>(aparam_.data()),
{1, lmp_list.inum,
static_cast<std::int64_t>(aparam_.size()) / lmp_list.inum},
options)
.to(device);
}
c10::Dict<c10::IValue, c10::IValue> outputs =
(do_message_passing == 1)
Expand Down Expand Up @@ -340,7 +345,7 @@ void DeepPotPT::compute(ENERGYVTYPE& ener,
torch::from_blob(coord_wrapped.data(), {1, natoms, 3}, options)
.to(device);
inputs.push_back(coord_wrapped_Tensor);
std::vector<int64_t> atype_64(atype.begin(), atype.end());
std::vector<std::int64_t> atype_64(atype.begin(), atype.end());
at::Tensor atype_Tensor =
torch::from_blob(atype_64.data(), {1, natoms}, int_options).to(device);
inputs.push_back(atype_Tensor);
Expand All @@ -355,7 +360,7 @@ void DeepPotPT::compute(ENERGYVTYPE& ener,
if (!fparam.empty()) {
fparam_tensor =
torch::from_blob(const_cast<VALUETYPE*>(fparam.data()),
{1, static_cast<long int>(fparam.size())}, options)
{1, static_cast<std::int64_t>(fparam.size())}, options)
.to(device);
}
inputs.push_back(fparam_tensor);
Expand All @@ -364,7 +369,8 @@ void DeepPotPT::compute(ENERGYVTYPE& ener,
aparam_tensor =
torch::from_blob(
const_cast<VALUETYPE*>(aparam.data()),
{1, natoms, static_cast<long int>(aparam.size()) / natoms}, options)
{1, natoms, static_cast<std::int64_t>(aparam.size()) / natoms},
options)
.to(device);
}
inputs.push_back(aparam_tensor);
Expand Down
3 changes: 2 additions & 1 deletion source/api_cc/src/DeepPotTF.cc
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,7 @@
#ifdef BUILD_TENSORFLOW
#include "DeepPotTF.h"

#include <cstdint>
#include <stdexcept>

#include "AtomMap.h"
Expand Down Expand Up @@ -549,7 +550,7 @@ void DeepPotTF::tile_fparam_aparam(std::vector<VALUETYPE>& out_param,
out_param.resize(static_cast<size_t>(nframes) * dparam);
for (int ii = 0; ii < nframes; ++ii) {
std::copy(param.begin(), param.end(),
out_param.begin() + static_cast<unsigned long>(ii) * dparam);
out_param.begin() + static_cast<std::uint64_t>(ii) * dparam);
}
} else if (param.size() == static_cast<size_t>(nframes) * dparam) {
out_param = param;
Expand Down
20 changes: 14 additions & 6 deletions source/op/pt/comm.cc
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,13 +1,20 @@
// SPDX-License-Identifier: LGPL-3.0-or-later
#if defined(GOOGLE_CUDA) || defined(TENSORFLOW_USE_ROCM)
#include "device.h"
#endif
#include <torch/torch.h>

#ifdef USE_MPI
#include <mpi.h>
#ifdef OMPI_MPI_H
#include <mpi-ext.h>
#endif
#endif
#include <torch/torch.h>

#include <cstdint>

#if defined(GOOGLE_CUDA) || defined(TENSORFLOW_USE_ROCM)
#include "device.h"
#endif

#ifdef USE_MPI
template <typename T>
static MPI_Datatype get_mpi_type();

Expand All @@ -21,6 +28,7 @@ MPI_Datatype get_mpi_type<double>() {
return MPI_DOUBLE;
}
#endif

class Border : public torch::autograd::Function<Border> {
public:
static torch::autograd::variable_list forward(
Expand Down Expand Up @@ -321,9 +329,9 @@ class Border : public torch::autograd::Function<Border> {
static void unpack_communicator(const torch::Tensor& communicator_tensor,
MPI_Comm& mpi_comm) {
#ifdef OMPI_MPI_H
long int* communicator = communicator_tensor.data_ptr<long int>();
std::int64_t* communicator = communicator_tensor.data_ptr<std::int64_t>();
#else
long int* ptr = communicator_tensor.data_ptr<long int>();
std::int64_t* ptr = communicator_tensor.data_ptr<std::int64_t>();
int* communicator = reinterpret_cast<int*>(ptr);
#endif
mpi_comm = reinterpret_cast<MPI_Comm>(*communicator);
Expand Down