Diffusion lammps a71516a2920c

Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
a71516a2920c
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Sep 7 2014, 21:39.

Description

Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps-icms

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Sep 7 2014, 21:39

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS8bbd2fc60ed5: rename bench-accel directory
rLAMMPSd631b1742adb: update list of examples for pre-compiled packages

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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSa71516a2920c: Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Sep 7 2014, 21:39

Merged Changes

Commit	Author	Details	Committed
d631b1742adb	Axel Kohlmeyer	update list of examples for pre-compiled packages	Sep 6 2014
ae4503e6a6c4	Axel Kohlmeyer	fix out-of-bound array access for triclinic boxes	Sep 6 2014
f0dc64c8157f	Axel Kohlmeyer	clean up SNAP implementation to compile cleanly with OpenMP and without	Sep 6 2014
6483c7344a07	Axel Kohlmeyer	add makefile using clang to AtC for better code review	Sep 6 2014
d12eca24b839	Axel Kohlmeyer	Merge remote branch 'lammps-ro/master' into lammps-icms	Sep 6 2014
cc1d9b37507a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12430 f3b2605a-c512-4ea7…	Sep 6 2014
d4e1503e81fb	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12429 f3b2605a-c512-4ea7…	Sep 6 2014
69f3347ce485	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12427 f3b2605a-c512-4ea7…	Sep 6 2014
3e4d6f2096d6	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12426 f3b2605a-c512-4ea7…	Sep 6 2014
af21769abebf	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12425 f3b2605a-c512-4ea7…	Sep 6 2014
a6e421220999	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12424 f3b2605a-c512-4ea7…	Sep 6 2014
41eef5be6bc8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12423 f3b2605a-c512-4ea7…	Sep 6 2014
04265d585e95	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12422 f3b2605a-c512-4ea7…	Sep 6 2014
92992e325a25	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12421 f3b2605a-c512-4ea7…	Sep 6 2014
05f0f1d62782	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12420 f3b2605a-c512-4ea7…	Sep 6 2014
77dedf106316	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12419 f3b2605a-c512-4ea7…	Sep 6 2014
b3e0966911ca	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12418 f3b2605a-c512-4ea7…	Sep 6 2014
f29fa0abfb99	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12417 f3b2605a-c512-4ea7…	Sep 5 2014
f05bbe48ae12	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12416 f3b2605a-c512-4ea7…	Sep 5 2014
2011475077e1	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12415 f3b2605a-c512-4ea7…	Sep 5 2014
076914c7ab10	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12414 f3b2605a-c512-4ea7…	Sep 5 2014
ed06a4859ee3	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12413 f3b2605a-c512-4ea7…	Sep 5 2014
2a24e947f5d1	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12412 f3b2605a-c512-4ea7…	Sep 5 2014
1fc5efe31e17	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12411 f3b2605a-c512-4ea7…	Sep 5 2014
4a95e6911174	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12410 f3b2605a-c512-4ea7…	Sep 5 2014
31509b75280e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12409 f3b2605a-c512-4ea7…	Sep 5 2014
8dce3d380cf8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12408 f3b2605a-c512-4ea7…	Sep 5 2014
05aa1d3b8708	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12407 f3b2605a-c512-4ea7…	Sep 5 2014
777e82995de2	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12406 f3b2605a-c512-4ea7…	Sep 5 2014
f6c0d4fec3e9	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12405 f3b2605a-c512-4ea7…	Sep 5 2014
68d424d3fc79	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12404 f3b2605a-c512-4ea7…	Sep 5 2014
4469e4e4070f	Axel Kohlmeyer	Merge remote branch 'lammps-ro/master' into lammps-icms	Sep 5 2014
fcc58a2b65f3	Axel Kohlmeyer	another one-line fix for compiling USER-CUDA	Sep 5 2014
aec634d1c90e	Axel Kohlmeyer	Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…	Sep 5 2014
970a2e8005f5	Axel Kohlmeyer	Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…	Sep 5 2014
451d5c04efab	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12403 f3b2605a-c512-4ea7…	Sep 4 2014
9b4e8563d1ea	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12402 f3b2605a-c512-4ea7…	Sep 4 2014
d143c88dffe3	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12401 f3b2605a-c512-4ea7…	Sep 4 2014
3b20ca9f1a41	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12400 f3b2605a-c512-4ea7…	Sep 4 2014
af4909ab5130	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12399 f3b2605a-c512-4ea7…	Sep 4 2014
37ab2751d182	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12398 f3b2605a-c512-4ea7…	Sep 4 2014
e814b5dbcfb0	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12397 f3b2605a-c512-4ea7…	Sep 4 2014
dfde50e9f7c5	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12396 f3b2605a-c512-4ea7…	Sep 4 2014
0c0e5c356f44	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12394 f3b2605a-c512-4ea7…	Sep 4 2014
f3e11380a73c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12393 f3b2605a-c512-4ea7…	Sep 4 2014
34d05e299f46	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12391 f3b2605a-c512-4ea7…	Sep 4 2014
eca79d427e1a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12390 f3b2605a-c512-4ea7…	Sep 4 2014
ded64a9e0341	Axel Kohlmeyer	update cross compiling makefiles	Sep 3 2014

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		Path
A	(dir)	bench/FERMI/
V		bench/{FERMI ← GPU}/README
V		bench/{FERMI ← GPU}/in.eam.cpu
V		bench/{FERMI ← GPU}/in.eam.cuda
P		bench/FERMI/in.eam.gpu Copied from bench/GPU/in.eam.gpu
V		bench/{FERMI/in.eam.titan ← GPU/in.eam.gpu}
P		bench/FERMI/in.lj.cpu Copied from bench/GPU/in.lj.cpu
V		bench/{FERMI ← GPU}/in.lj.cuda
P		bench/FERMI/in.lj.gpu Copied from bench/GPU/in.lj.gpu
A		bench/FERMI/in.lj.titan
V		bench/{FERMI ← GPU}/in.rhodo.cpu
V		bench/{FERMI ← GPU}/in.rhodo.cuda
P		bench/FERMI/in.rhodo.gpu Copied from bench/GPU/in.rhodo.gpu
P		bench/FERMI/in.rhodo.scaled.titan Copied from bench/GPU/in.rhodo.gpu
V		bench/{FERMI/in.rhodo.split.titan ← GPU/in.rhodo.gpu}
D		bench/GPU
V		bench/{GPU → FERMI}/README
V		bench/{GPU → FERMI}/in.eam.cpu
V		bench/{GPU → FERMI}/in.eam.cuda
P		bench/GPU/in.eam.gpu Deleted after being copied to multiple locations: bench/FERMI/in.eam.gpu bench/FERMI/in.eam.titan
P		bench/GPU/in.lj.cpu Deleted after being copied to multiple locations: bench/FERMI/in.lj.cpu bench/KEPLER/in.lj.cpu bench/KEPLER/in.lj.cuda bench/KEPLER/in.lj.intel.cpu bench/KEPLER/in.lj.kokkos.omp bench/KEPLER/in.lj.omp bench/KEPLER/in.lj.opt
V		bench/{GPU → FERMI}/in.lj.cuda
P		bench/GPU/in.lj.gpu Deleted after being copied to multiple locations: bench/FERMI/in.lj.gpu bench/KEPLER/in.lj.gpu bench/KEPLER/in.lj.kokkos.cuda
V		bench/{GPU → FERMI}/in.rhodo.cpu
V		bench/{GPU → FERMI}/in.rhodo.cuda
P		bench/GPU/in.rhodo.gpu Deleted after being copied to multiple locations: bench/FERMI/in.rhodo.gpu bench/FERMI/in.rhodo.scaled.titan bench/FERMI/in.rhodo.split.titan
A	(dir)	bench/KEPLER/
P		bench/KEPLER/Makefile.cpu Copied from src/MAKE/Makefile.serial_debug
P		bench/KEPLER/Makefile.cuda Copied from src/MAKE/Makefile.serial_debug
P		bench/KEPLER/Makefile.gpu Copied from src/MAKE/Makefile.serial_debug
P		bench/KEPLER/Makefile.gpu.double Copied from lib/gpu/Makefile.linux.double
P		bench/KEPLER/Makefile.gpu.mixed Copied from lib/gpu/Makefile.linux.mixed
P		bench/KEPLER/Makefile.gpu.single Copied from lib/gpu/Makefile.linux.single
P		bench/KEPLER/Makefile.intel.cpu Copied from src/MAKE/Makefile.serial_debug
P		bench/KEPLER/Makefile.kokkos.cuda Copied from src/MAKE/Makefile.serial_debug
P		bench/KEPLER/Makefile.kokkos.omp Copied from src/MAKE/Makefile.serial_debug
P		bench/KEPLER/Makefile.omp Copied from src/MAKE/Makefile.serial_debug
P		bench/KEPLER/Makefile.opt Copied from src/MAKE/Makefile.serial_debug
A		bench/KEPLER/README
A		bench/KEPLER/build.py
P		bench/KEPLER/in.lj.cpu Copied from bench/GPU/in.lj.cpu
P		bench/KEPLER/in.lj.cuda Copied from bench/GPU/in.lj.cpu
P		bench/KEPLER/in.lj.gpu Copied from bench/GPU/in.lj.gpu
P		bench/KEPLER/in.lj.intel.cpu Copied from bench/GPU/in.lj.cpu
V		bench/{KEPLER/in.lj.kokkos.cuda ← GPU/in.lj.gpu}
P		bench/KEPLER/in.lj.kokkos.omp Copied from bench/GPU/in.lj.cpu
P		bench/KEPLER/in.lj.omp Copied from bench/GPU/in.lj.cpu
V		bench/{KEPLER/in.lj.opt ← GPU/in.lj.cpu}
A		bench/KEPLER/run_cpu.sh
A		bench/KEPLER/run_gpu.sh
A		bench/KEPLER/run_intel_cpu.sh
A		bench/KEPLER/run_kokkos_cuda.sh
A		bench/KEPLER/run_kokkos_omp.sh
A		bench/KEPLER/run_opt.sh
A		bench/KEPLER/run_user_cuda.sh
A		bench/KEPLER/run_user_omp.sh
M		bench/README
A		doc/Eqs/compute_sna_atom1.jpg
A		doc/Eqs/compute_sna_atom1.tex
A		doc/Eqs/compute_sna_atom2.jpg
A		doc/Eqs/compute_sna_atom2.tex
A		doc/Eqs/compute_sna_atom3.jpg
A		doc/Eqs/compute_sna_atom3.tex
A		doc/Eqs/compute_sna_atom4.jpg
A		doc/Eqs/compute_sna_atom4.tex
A		doc/Eqs/compute_sna_atom5.jpg
A		doc/Eqs/compute_sna_atom5.tex
A		doc/Eqs/compute_sna_atom6.jpg
A		doc/Eqs/compute_sna_atom6.tex
A		doc/Eqs/pair_snap.jpg
A		doc/Eqs/pair_snap.tex
M		doc/Manual.html
M		doc/Manual.txt
M		doc/Section_accelerate.html
M		doc/Section_accelerate.txt
M		doc/Section_commands.html
M		doc/Section_commands.txt
M		doc/Section_example.html
M		doc/Section_example.txt
M		doc/Section_intro.html
M		doc/Section_intro.txt
M		doc/Section_packages.html
M		doc/Section_packages.txt
M		doc/Section_start.html
M		doc/Section_start.txt
M		doc/compute.html
M		doc/compute.txt
A		doc/compute_sna_atom.html
A		doc/compute_sna_atom.txt
M		doc/fix_addforce.html
M		doc/fix_addforce.txt
A		doc/pair_snap.html
A		doc/pair_snap.txt
M		doc/pair_style.html
M		doc/pair_style.txt
M		examples/README
A	(dir)	examples/snap/
A		examples/snap/Ta06A.snapcoeff
A		examples/snap/Ta06A.snapparam
A		examples/snap/Ta06A_pot.snap
A		examples/snap/in.snap
A		examples/snap/log.snap.5Sep14.linux.1
A		examples/snap/log.snap.5Sep14.linux.4
M		lib/atc/ATC_Method.cpp
A		lib/atc/Makefile.clang
M		lib/cuda/Makefile.defaults
M		lib/cuda/Makefile.lammps
P		lib/gpu/Makefile.linux.double Copied to bench/KEPLER/Makefile.gpu.double
P		lib/gpu/Makefile.linux.mixed Copied to bench/KEPLER/Makefile.gpu.mixed
P		lib/gpu/Makefile.linux.single Copied to bench/KEPLER/Makefile.gpu.single
M		lib/meam/Makefile.mingw32-cross
M		lib/meam/Makefile.mingw64-cross
M		potentials/README
A		potentials/Ta06A.snapcoeff
A		potentials/Ta06A.snapparam
A		potentials/Ta06A_pot.snap
M		src/KOKKOS/atom_kokkos.cpp
M		src/KOKKOS/atom_kokkos.h
M		src/KOKKOS/atom_vec_angle_kokkos.cpp
M		src/KOKKOS/atom_vec_atomic_kokkos.cpp
M		src/KOKKOS/atom_vec_bond_kokkos.cpp
M		src/KOKKOS/atom_vec_charge_kokkos.cpp
M		src/KOKKOS/atom_vec_full_kokkos.cpp
M		src/KOKKOS/atom_vec_molecular_kokkos.cpp
M		src/KOKKOS/fix_nve_kokkos.cpp
P		src/MAKE/#Makefile.g++# Copied from src/MAKE/Makefile.serial_debug
V		src/MAKE/{Makefile.debug ← Makefile.serial_debug}
P		src/MAKE/Makefile.serial_debug Deleted after being copied to multiple locations: bench/KEPLER/Makefile.cpu bench/KEPLER/Makefile.cuda bench/KEPLER/Makefile.gpu bench/KEPLER/Makefile.intel.cpu bench/KEPLER/Makefile.kokkos.cuda bench/KEPLER/Makefile.kokkos.omp bench/KEPLER/Makefile.omp bench/KEPLER/Makefile.opt src/MAKE/#Makefile.g++# src/MAKE/Makefile.debug
M		src/Makefile
A	(dir)	src/SNAP/
A		src/SNAP/compute_sna_atom.cpp
A		src/SNAP/compute_sna_atom.h
A		src/SNAP/compute_snad_atom.cpp
A		src/SNAP/compute_snad_atom.h
A		src/SNAP/compute_snav_atom.cpp
A		src/SNAP/compute_snav_atom.h
A		src/SNAP/openmp_snap.h
A		src/SNAP/pair_snap.cpp
A		src/SNAP/pair_snap.h
A		src/SNAP/sna.cpp
A		src/SNAP/sna.h
M		src/USER-CUDA/pppm_cuda.cpp
M		src/atom.h
M		src/balance.cpp
M		src/delete_atoms.cpp
M		src/fix_addforce.cpp
M		src/lmptype.h
M		src/version.h
M		tools/mingw-cross/build-mingw-cross.sh
M		tools/rpm/build-rpm-from-git.sh