47e2a3a5fc
Merge branch 'master' into lammps-icms
...
Resolved Conflicts:
doc/kspace_style.html
src/USER-EWALDN/ewald_n.h
src/USER-OMP/pppm_tip4p_omp.cpp
2012-03-03 13:25:31 -05:00
d30ba2d7eb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7885 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-03-02 15:57:05 +00:00
6214cf2944
Merge branch 'master' into lammps-icms
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Resolved Conflicts:
src/USER-CUDA/fix_npt_cuda.cpp
src/USER-CUDA/fix_nvt_cuda.cpp
src/USER-OMP/fix_omp.cpp
src/fix.h
src/memory.cpp
tools/restart2data.cpp
2012-02-02 09:13:06 -05:00
2c42373bc8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7644 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-01 16:07:44 +00:00
53449d4375
adjust makefile default settings
2012-01-30 21:07:15 -05:00
32dba78215
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7618 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-31 00:55:55 +00:00
8149b41103
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7616 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-31 00:40:01 +00:00
aa13dbbe66
Merge branch 'master' into lammps-icms
2012-01-27 10:19:15 -05:00
65ac3b2dec
embed path to shared gpu library
2012-01-27 10:18:29 -05:00
00c4af42a4
Merge branch 'master' into lammps-icms
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Resolved Conflicts:
lib/gpu/Nvidia.makefile
lib/gpu/Opencl.makefile
2012-01-26 14:57:15 -05:00
a91b67d815
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7586 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-26 17:55:18 +00:00
2aaf4f6d7e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7581 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-25 21:22:15 +00:00
6b1774dc20
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7575 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-25 15:31:54 +00:00
483d9fc5b5
correct OpenCL makefile
2012-01-24 21:40:35 -05:00
86b6a00449
Merge branch 'lammps-lal' into lammps-icms-lal
2012-01-23 19:37:53 -05:00
a7e57915f7
Added a header needed to compile with Cray cce.
2012-01-23 17:49:55 -05:00
5da8da06ab
Moving the order of bool variables in lal_table to match constructor
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assignment. Added a missing include file.
All code currently passing OpenCL and CUDA regression tests.
2012-01-23 13:22:23 -05:00
0384974346
Made separate kernels for different table styles, removed inline functions
2012-01-23 10:48:27 -05:00
10ce8fa895
Merge ssh://lens.ccs.ornl.gov/~/git/lammps
2012-01-21 18:38:53 -05:00
274c3d38c4
- Updated geryon lib for Apple OpenCL
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- Fixed typos in Nvidia.makefile and Opencl.makefile
- Updated eam.cu to work with OpenCL
- table still not working with OpenCL
2012-01-20 22:20:19 -05:00
13c2da0546
Fixing issue with OpenCL. Unused memory pointers that are arguments to
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kernels must still point to valid memory allocations.
2012-01-20 13:01:49 -05:00
4b0e911573
Code formatting and added log file for table with bitmap for regression
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tests. All regression tests now passing with CUDA.
2012-01-19 16:15:12 -05:00
dd62b23a17
Fixed bugs with bitmap table/gpu
2012-01-18 23:57:22 -05:00
5870b4fff7
Merge branch 'master' of https://bitbucket.org/wb8/lal
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Conflicts:
test/table_linear.gpu.in
2012-01-18 17:22:24 -05:00
eedce7ae89
Cleaning up code formatting.
2012-01-18 17:19:27 -05:00
67362186ad
Added tests for two-type eam
2012-01-18 16:13:13 -05:00
981383436d
Fixing bug in neighbor build to prevent copy of host neighbor list when
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the dynamic load balancing sets the GPU fraction to 1.
2012-01-17 17:36:04 -05:00
909931539d
support compiling the GPU library as shared lib.
2012-01-15 20:33:30 -05:00
52ec090bd6
Merge branch 'master' of ssh://yona.ccs.ornl.gov/~/git/lammps
2012-01-09 09:49:58 -05:00
949937d725
Merge branch 'master' of http://git.icms.temple.edu/lammps-ro
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Conflicts:
src/GPU/pppm_gpu.cpp
2012-01-09 09:47:59 -05:00
b7cece5210
Merge branch 'master' of https://bitbucket.org/wb8/lal
2012-01-09 09:40:40 -05:00
4ae1ca521c
Merge branch 'master' into lammps-icms
...
Resolved Conflicts:
lib/linalg/Makefile.gfortran
lib/linalg/Makefile.mingw_cross
src/GPU/pppm_gpu.cpp
src/USER-REAXC/pair_reax_c.h
tools/restart2data.cpp
2012-01-07 12:04:28 -05:00
aac0e5699f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7426 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-06 17:13:10 +00:00
a242911efd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7422 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-06 17:07:51 +00:00
2214992035
Merge branch 'openmp-master' into lammps-icms
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Resolved Conflicts:
.gitignore
doc/fix_spring_self.txt
lib/atc/Array.h
lib/gpu/.gitignore
src/.gitignore
src/MAKE/Makefile.openmpi
src/MAKE/Makefile.openmpi-omp
src/STUBS/Makefile
src/STUBS/mpi.c
src/STUBS/mpi.h
src/USER-CG-CMM/cg_cmm_parms.h
src/dump.h
src/fix_spring_self.cpp
tools/restart2data.cpp
2011-12-31 19:59:13 -05:00
9259ae8699
Merge branch 'master' into lammps-icms
...
Resolved Conflicts:
doc/Eqs/pair_coul_diel.jpg
doc/Section_commands.html
doc/Section_commands.txt
doc/pair_coul_diel.html
doc/pair_coul_diel.txt
doc/processors.html
doc/processors.txt
examples/USER/imd/bucky_cnt_imd.vmd
examples/USER/imd/in.bucky-plus-cnt
examples/USER/imd/in.deca-ala-solv_imd
examples/USER/imd/in.deca-ala_imd
lib/gpu/Makefile.fermi
lib/gpu/Makefile.lincoln
lib/gpu/Makefile.longhorn
lib/gpu/Makefile.serial
lib/gpu/geryon/VERSION.txt
lib/gpu/pair_gpu_device.cpp
src/ASPHERE/atom_vec_ellipsoid.cpp
src/CLASS2/Install.sh
src/COLLOID/atom_vec_colloid.cpp
src/DIPOLE/atom_vec_dipole.cpp
src/GPU/fix_gpu.cpp
src/GRANULAR/atom_vec_granular.cpp
src/GRANULAR/fix_pour.h
src/KSPACE/Install.sh
src/KSPACE/fft3d.cpp
src/KSPACE/fft3d.h
src/KSPACE/kissfft.h
src/KSPACE/pppm.cpp
src/KSPACE/pppm.h
src/KSPACE/pppm_tip4p.cpp
src/MAKE/Makefile.openmpi
src/MAKE/Makefile.serial
src/MANYBODY/pair_airebo.cpp
src/MANYBODY/pair_comb.cpp
src/MANYBODY/pair_eam.cpp
src/MANYBODY/pair_eim.cpp
src/MANYBODY/pair_sw.cpp
src/MANYBODY/pair_tersoff.cpp
src/MANYBODY/pair_tersoff_zbl.cpp
src/MOLECULE/atom_vec_angle.cpp
src/MOLECULE/atom_vec_bond.cpp
src/MOLECULE/atom_vec_full.cpp
src/MOLECULE/atom_vec_molecular.cpp
src/Makefile
src/Makefile.lib
src/PERI/atom_vec_peri.cpp
src/USER-CG-CMM/Install.sh
src/USER-IMD/README
src/USER-IMD/fix_imd.cpp
src/USER-IMD/fix_imd.h
src/USER-SMD/Install.sh
src/atom_vec_atomic.cpp
src/atom_vec_charge.cpp
src/comm.cpp
src/finish.cpp
src/fix_box_relax.cpp
src/fix_deposit.cpp
src/fix_spring_self.cpp
src/fix_store_state.cpp
src/fix_wall.cpp
src/fix_wall_reflect.cpp
src/input.cpp
src/input.h
src/memory.cpp
src/memory.h
src/pair_lj_cut.cpp
tools/restart2data.cpp
2011-12-31 19:07:46 -05:00
d0686fbd3f
terminate all inline function declaration with ';'
2011-12-26 19:48:04 -05:00
6844100cbb
Fixing some bugs introduced in the last commit for PPPM.
2011-12-21 14:21:07 -05:00
ea067ec4e6
Improved the 2nd kernel eam/lj just a little bit
2011-12-21 00:57:44 -05:00
04034b6178
Updates to support pppm/gpu with verlet/split. Updates from Steve for using twolevel grids with verlet/split.
2011-12-20 21:50:04 -05:00
771b456907
Changes to pppm to support verlet/split. Not yet working.
2011-12-20 18:05:12 -05:00
abb538b814
Added eam/lj/gpu
2011-12-20 14:57:48 -05:00
75cb370d34
Moving fp array resize for EAM before the inum check to prevent
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segmentation faults for subdomains with no work.
Chaning fp data copy to only be local atoms for device to host and
only be ghost atoms for host to device.
2011-12-19 16:29:47 -05:00
d865785786
Moving energy pointer offset to only happen with eflag in eam. Adding
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some hybrid test cases.
2011-12-19 13:12:17 -05:00
7d47a0f6b9
Fixed a bug with storing fp to incorrect indices
2011-12-19 12:03:11 -05:00
4b180c8a31
Removing comments from fast kernels.
2011-12-19 11:19:20 -05:00
dbde8f425b
Fixing bugs in eam/gpu, force compute still not working properly for 2 atom types
2011-12-17 06:57:38 -05:00
3bcd98d4f1
Merge branch 'master' of ssh://firefly9.ornl.gov/~/code/lammps
2011-12-16 12:55:50 -05:00
ac97aa3e94
Adding a int2 type.
2011-12-16 12:55:23 -05:00
b7a2dc6eba
Geryon update.
2011-12-15 20:45:25 -05:00
