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Updated doc pages for the added pair styles, added a cmake preset for gpu-cuda, added "comm_modify vel yes" to in.mdpd

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This commit is contained in:
Trung Nguyen
2023-12-05 15:32:57 -06:00
parent fe96d9f836
commit e53b3c76f5
5 changed files with 26 additions and 2 deletions
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12
cmake/presets/gpu-cuda.cmake Normal file
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@ -0,0 +1,12 @@
# preset that enables GPU and selects CUDA API
set(PKG_GPU ON CACHE BOOL "Build GPU package" FORCE)
set(GPU_API "cuda" CACHE STRING "APU used by GPU package" FORCE)
set(GPU_PREC "mixed" CACHE STRING "" FORCE)
set(GPU_ARCH "sm_60;sm_70;sm_80" CACHE STRING "LAMMPS GPU CUDA SM architectures" FORCE)
set(CUDA_NVCC_FLAGS "-allow-unsupported-compiler" CACHE STRING "" FORCE)
set(CUDA_NVCC_FLAGS_DEBUG "-allow-unsupported-compiler" CACHE STRING "" FORCE)
set(CUDA_NVCC_FLAGS_MINSIZEREL "-allow-unsupported-compiler" CACHE STRING "" FORCE)
set(CUDA_NVCC_FLAGS_RELWITHDEBINFO "-allow-unsupported-compiler" CACHE STRING "" FORCE)
set(CUDA_NVCC_FLAGS_RELEASE "-allow-unsupported-compiler" CACHE STRING "" FORCE)

3
doc/src/pair_coul_slater.rst
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@ -1,6 +1,7 @@
.. index:: pair_style coul/slater
.. index:: pair_style coul/slater/cut
.. index:: pair_style coul/slater/long
.. index:: pair_style coul/slater/long/gpu
pair_style coul/slater command
==============================
@ -11,6 +12,8 @@ pair_style coul/slater/cut command
pair_style coul/slater/long command
===================================
Accelerator Variants: *coul/slater/gpu*
Syntax
""""""

6
doc/src/pair_fep_soft.rst
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@ -1,8 +1,10 @@
.. index:: pair_style lj/cut/soft
.. index:: pair_style lj/cut/soft/omp
.. index:: pair_style lj/cut/coul/cut/soft
.. index:: pair_style lj/cut/coul/cut/soft/gpu
.. index:: pair_style lj/cut/coul/cut/soft/omp
.. index:: pair_style lj/cut/coul/long/soft
.. index:: pair_style lj/cut/coul/long/soft/gpu
.. index:: pair_style lj/cut/coul/long/soft/omp
.. index:: pair_style lj/cut/tip4p/long/soft
.. index:: pair_style lj/cut/tip4p/long/soft/omp
@ -27,12 +29,12 @@ Accelerator Variants: *lj/cut/soft/omp*
pair_style lj/cut/coul/cut/soft command
=======================================
Accelerator Variants: *lj/cut/coul/cut/soft/omp*
Accelerator Variants: *lj/cut/coul/cut/soft/gpu*, *lj/cut/coul/cut/soft/omp*
pair_style lj/cut/coul/long/soft command
========================================
Accelerator Variants: *lj/cut/coul/long/soft/omp*
Accelerator Variants: *lj/cut/coul/long/soft/gpu*, *lj/cut/coul/long/soft/omp*
pair_style lj/cut/tip4p/long/soft command
=========================================

6
doc/src/pair_mesodpd.rst
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@ -1,14 +1,20 @@
.. index:: pair_style edpd
.. index:: pair_style edpd/gpu
.. index:: pair_style mdpd
.. index:: pair_style mdpd/gpu
.. index:: pair_style mdpd/rhosum
.. index:: pair_style tdpd
pair_style edpd command
=======================
Accelerator Variants: *edpd/gpu*
pair_style mdpd command
=======================
Accelerator Variants: *mdpd/gpu*
pair_style mdpd/rhosum command
==============================

1
examples/PACKAGES/dpd-meso/mdpd/in.mdpd
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@ -16,6 +16,7 @@ neighbor 0.3 bin
neigh_modify every 1 delay 0 check yes
atom_style mdpd
comm_modify vel yes
region mdpd block -25 25 -10 10 -10 10 units box
create_box 1 mdpd