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lammps/src/GPU/gpu_extra.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Mike Brown (ORNL)
------------------------------------------------------------------------- */
#ifndef LMP_GPU_EXTRA_H
#define LMP_GPU_EXTRA_H
#include "modify.h"
#include "error.h"
namespace GPU_EXTRA {
inline void check_flag(int error_flag, LAMMPS_NS::Error *error,
MPI_Comm &world) {
int all_success;
MPI_Allreduce(&error_flag, &all_success, 1, MPI_INT, MPI_MIN, world);
if (all_success != 0) {
if (all_success == -1)
error->all(FLERR,
"The package gpu command is required for gpu styles");
else if (all_success == -2)
error->all(FLERR,
"Could not find/initialize a specified accelerator device");
else if (all_success == -3)
error->all(FLERR,"Insufficient memory on accelerator");
else if (all_success == -4)
error->all(FLERR,"GPU library not compiled for this accelerator");
else if (all_success == -5)
error->all(FLERR,
"Double precision is not supported on this accelerator");
else if (all_success == -6)
error->all(FLERR,"Unable to initialize accelerator for use");
else if (all_success == -7)
error->all(FLERR,
"Accelerator sharing is not currently supported on system");
else if (all_success == -8)
error->all(FLERR,
"GPU particle split must be set to 1 for this pair style.");
else if (all_success == -9)
error->all(FLERR,
"CPU neighbor lists must be used for ellipsoid/sphere mix.");
else if (all_success == -10)
error->all(FLERR,
"Invalid threads_per_atom specified.");
else if (all_success == -11)
error->all(FLERR,
"Invalid custom OpenCL parameter string.");
else
error->all(FLERR,"Unknown error in GPU library");
}
};
inline void gpu_ready(LAMMPS_NS::Modify *modify, LAMMPS_NS::Error *error) {
int ifix = modify->find_fix("package_gpu");
if (ifix < 0)
error->all(FLERR,"The package gpu command is required for gpu styles");
};
}
#endif
/* ERROR/WARNING messages:
E: The package gpu command is required for gpu styles
Self-explanatory.
E: Could not find/initialize a specified accelerator device
Could not initialize at least one of the devices specified for the gpu
package
E: Insufficient memory on accelerator
There is insufficient memory on one of the devices specified for the gpu
package
E: GPU library not compiled for this accelerator
Self-explanatory.
E: Double precision is not supported on this accelerator
Self-explanatory
E: Unable to initialize accelerator for use
There was a problem initializing an accelerator for the gpu package
E: Accelerator sharing is not currently supported on system
Multiple MPI processes cannot share the accelerator on your
system. For NVIDIA GPUs, see the nvidia-smi command to change this
setting.
E: GPU particle split must be set to 1 for this pair style.
For this pair style, you cannot run part of the force calculation on
the host. See the package command.
E: CPU neighbor lists must be used for ellipsoid/sphere mix.
When using Gay-Berne or RE-squared pair styles with both ellipsoidal and
spherical particles, the neighbor list must be built on the CPU
E: Invalid threads_per_atom specified.
For 3-body potentials on the GPU, the threads_per_atom setting cannot be
greater than 4 for NVIDIA GPUs.
E: Invalid custom OpenCL parameter string.
There are not enough or too many parameters in the custom string for package
GPU.
E: Unknown error in GPU library
Self-explanatory.
*/
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