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updates to the README to match current status.

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Axel Kohlmeyer
2010-11-17 22:27:49 -05:00
parent 2c7c8198fe
commit f324ce503e
1 changed files with 29 additions and 8 deletions
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37
lib/gpu/README
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@ -37,6 +37,8 @@ Current pair styles supporting GPU acceleration:
3. lj/cut/coul/long/gpu
4. lj96/cut/gpu
5. gayberne/gpu
6. cmm/cg/gpu
7. cmm/cg/coul/long/gpu
MULTIPLE LAMMPS PROCESSES
@ -49,22 +51,29 @@ LAMMPS user manual for details on running with GPU acceleration.
BUILDING AND PRECISION MODES
To build, edit the CUDA_ARCH, CUDA_PRECISION, CUDA_INCLUDE, CUDA_LIB,
and CUDA_OPTS values in one of the Makefiles. CUDA_ARCH should be set
based on the compute capability for your GPU. This can be verified by
To build, edit the CUDA_ARCH, CUDA_PRECISION, CUDA_HOME, NVCC, CUDA_INCLUD,
CUDA_LIB and CUDA_OPTS variables in one of the Makefiles. CUDA_ARCH should
be set based on the compute capability of your GPU. This can be verified by
running the nvc_get_devices executable after the build is complete.
Additionally, the GPU package must be installed and
compiled for LAMMPS. This may require editing the gpu_SYSPATH variable
in the LAMMPS makefile.
Additionally, the GPU package must be installed and compiled for LAMMPS.
This may require editing the gpu_SYSPATH variable in the LAMMPS makefile.
The library supports 3 precision modes as determined by
Please note that the GPU library accesses the CUDA driver library directly,
so it needs to be linked not only to the CUDA runtime library (libcudart.so)
that ships with the CUDA toolkit, but also with the CUDA driver library
(libcuda.so) that ships with the Nvidia driver. If you are compiling LAMMPS
on the head node of a GPU cluster, this library may not be installed,
so you may need to copy it over from one of the compute nodes (best into
this directory).
The gpu library supports 3 precision modes as determined by
the CUDA_PRECISION variable:
CUDA_PREC = -D_SINGLE_SINGLE # Single precision for all calculations
CUDA_PREC = -D_DOUBLE_DOUBLE # Double precision for all calculations
CUDA_PREC = -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double
NOTE: Double precision is only supported on certain GPUS (with
NOTE: Double precision is only supported on certain GPUs (with
compute capability>=1.3).
NOTE: For Tesla and other graphics cards with compute capability>=1.3,
@ -75,6 +84,14 @@ NOTE: For Fermi, make sure that -arch=sm_20 is set on the CUDA_ARCH line.
NOTE: The gayberne/gpu pair style will only be installed if the ASPHERE
package has been installed before installing the GPU package in LAMMPS.
NOTE: The cg/cmm/gpu and cg/cmm/coul/long/gpu pair styles will only be
installed if the USER-CG-CMM package has been installed before
installing the GPU package in LAMMPS.
NOTE: The lj/cut/coul/long/gpu and cg/cmm/coul/long/gpu style will only be
installed if the KSPACE package has been installed before installing
the GPU package in LAMMPS.
EXAMPLE BUILD PROCESS
cd ~/lammps/lib/gpu
@ -84,6 +101,10 @@ make -f Makefile.linux
cd ../../src
emacs ./MAKE/Makefile.linux
make yes-asphere
make yes-kspace
make yes-gpu
make linux
------------------------------------------------------------------------
Last merge with gpulammps: r561 on 2010-11-12
------------------------------------------------------------------------