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gpu_extra.h
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Mon, Sep 2, 13:43
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rLAMMPS lammps
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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